11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine

C64H42N2 — CID 174307732

IUPAC11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4ccccc4c4c3c3ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N2/c1-4-17-43(18-5-1)45-31-35-51(36-32-45)65(52-25-16-22-46(39-52)44-19-6-2-7-20-44)62-42-49-21-10-11-26-53(49)64-63(62)59-38-34-48(41-61(59)66(64)50-23-8-3-9-24-50)47-33-37-58-56-29-13-12-27-54(56)55-28-14-15-30-57(55)60(58)40-47/h1-42H
InChIKeyRLHFUWXCTLIOFV-UHFFFAOYSA-N
MW839.05 g/mol
LogP17.87
Rot. Bonds7

About 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine

11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine (PubChem CID 174307732) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine.

Molecular Properties

Compound Name11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
PubChem CID174307732
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC Name11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4ccccc4c4c3c3ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N2/c1-4-17-43(18-5-1)45-31-35-51(36-32-45)65(52-25-16-22-46(39-52)44-19-6-2-7-20-44)62-42-49-21-10-11-26-53(49)64-63(62)59-38-34-48(41-61(59)66(64)50-23-8-3-9-24-50)47-33-37-58-56-29-13-12-27-54(56)55-28-14-15-30-57(55)60(58)40-47/h1-42H
InChIKeyRLHFUWXCTLIOFV-UHFFFAOYSA-N
XLogP17.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174306801
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307600
N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307742
11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
CID 174307151
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
CID 174306819
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660622

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The IUPAC name of 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine (CID 174307732) is 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine.
What is the SMILES notation for 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The canonical SMILES for 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cc4ccccc4c4c3c3ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
The InChIKey is RLHFUWXCTLIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-4-17-43(18-5-1)45-31-35-51(36-32-45)65(52-25-16-22-46(39-52)44-19-6-2-7-20-44)62-42-49-21-10-11-26-53(49)64-63(62)59-38-34-48(41-61(59)66(64)50-23-8-3-9-24-50)47-33-37-58-56-29-13-12-27-54(56)55-28-14-15-30-57(55)60(58)40-47/h1-42H.
What are the key properties of 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine?
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine has a molecular weight of 839.05 g/mol, XLogP of 17.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine is sourced from PubChem (CID 174307732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).