9-(2-Naphthyl)-10-[4-(1-naphthyl)phenyl]anthracene CAS NO.667940-34-3

1.Introduction of 67940-34-3

9-(2-Naphthyl)-10-[4-(1-naphthyl)phenyl]anthracene has the CAS registry number of 67940-34-3. Its synonys are an

1.Introduction of 67940-34-3

9-(2-Naphthyl)-10-[4-(1-naphthyl)phenyl]anthracene has the CAS registry number of 67940-34-3. Its synonys are anthracene, 9-(2-naphthalenyl)-10-[4-(1-naphthalenyl)phenyl]-; 9-(2-naphthyl)-10-[4-(1-naphthyl)phenyl]anthracene; 9-(2-naphthalenyl)-10-[4-(1-naphthalenyl)phenyl]-anthracene. The product is in yellow crystal powder in purity of 98.0%.

2.Properties of 67940-34-3

ACD/LogP: 12.243
# of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): 12.24
ACD/LogD (pH 7.4): 12.24
ACD/BCF (pH 5.5): 1000000.00
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/KOC (pH 7.4): 10000000.00
#Freely Rotating Bonds: 3
Polar Surface Area: 0?²
Index of Refraction: 1.747
Molar Refractivity: 171.399 cm³
Molar Volume: 421.751 cm³
Polarizability: 67.948 10-24cm³
Surface Tension: 53.8849983215332 dyne/cm
Density: 1.201 g/cm³
Flash Point: 367.482 °C
Enthalpy of Vaporization: 95.903 kJ/mol
Boiling Point: 677.748 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 67940-34-3

(1)InChI: InChI=1S/C40H26/c1-2-12-31-26-32(25-20-27(31)10-1)40-37-17-7-5-15-35(37)
39(36-16-6-8-18-38(36)40)30-23-21-29(22-24-30)34-19-9-13-28-11-3-4-14-33(28)34/h1-26H
(2)InChIKey: RUQICFLRSLDXDP-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC=C(C=C6)C7=CC=CC8=CC=CC=C87