4,4'-Bis(9-ethyl-3-carbazovinylene)-1,1'-biphenyl CAS NO.475480-90-1

1.Introduction of 475480-90-1

4,4'-Bis(9-ethyl-3-carbazovinylene)-1,1'-biphenyl has the CAS registry number of 475480-90-1. And its IUPAC nam

1.Introduction of 475480-90-1

4,4'-Bis(9-ethyl-3-carbazovinylene)-1,1'-biphenyl has the CAS registry number of 475480-90-1. And its IUPAC name is 9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole. It belongs to product categories of OLED materials, pharm chemical and electronic chemical. Our product in the market has high quality of 98.0% in purity.

2.Properties of 475480-90-1

Molecular Weight: 592.77004 [g/mol]
Molecular Formula: C44H36N2
XLogP3-AA: 11.5
Rotatable Bond Count: 7
Exact Mass: 592.287849
MonoIsotopic Mass: 592.287849
Topological Polar Surface Area: 9.9
Heavy Atom Count: 46
Complexity: 949
Defined Bond Stereocenter Count: 2
Covalently-Bonded Unit Count: 1
Feature 3D Cation Count: 2
Feature 3D Ring Count: 8
Effective Rotor Count: 7
Conformer Sampling RMSD: 1
CID Conformer Count: 7

3.Structure Descriptors of 475480-90-1

(1)InChI: InChI=1S/C44H36N2/c1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2/h5-30H,3-4H2,1-2H3/b15-13+,16-14+
(2)InChIKey: RAPHUPWIHDYTKU-WXUKJITCSA-N
(3)Canonical SMILES : CCN1C2=C(C=C(C=C2)C=CC3=CC=C(C=C3)C4=CC=C(C=C4)C=CC5=CC6=C(C=C5)N(C7=CC=CC=C76)CC)C8=CC=CC=C81
(4)Isomeric SMILES: CCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C/C4=CC=C(C=C4)C5=CC=C(C=C5)/C=C/C6=CC7=C(N(C8=CC=CC=C78)CC)C=C6