N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine

C60H40N2 — CID 174307494

IUPACN-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(-c3ccc4c5c(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc6ccccc6c5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-4-16-41(17-5-1)42-28-30-43(31-29-42)45-34-37-55-57(39-45)62(49-22-8-3-9-23-49)60-52-25-13-11-19-47(52)40-58(59(55)60)61(48-20-6-2-7-21-48)50-35-32-44(33-36-50)56-38-46-18-10-12-24-51(46)53-26-14-15-27-54(53)56/h1-40H
InChIKeyXNQMOYCJXXQQIW-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine

N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine (PubChem CID 174307494) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
PubChem CID174307494
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(-c3ccc4c5c(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc6ccccc6c5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C60H40N2/c1-4-16-41(17-5-1)42-28-30-43(31-29-42)45-34-37-55-57(39-45)62(49-22-8-3-9-23-49)60-52-25-13-11-19-47(52)40-58(59(55)60)61(48-20-6-2-7-21-48)50-35-32-44(33-36-50)56-38-46-18-10-12-24-51(46)53-26-14-15-27-54(53)56/h1-40H
InChIKeyXNQMOYCJXXQQIW-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.71
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
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
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
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307600
8-phenanthren-9-yl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307730
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307742
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342

Frequently Asked Questions

What is the IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The IUPAC name of N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine (CID 174307494) is N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine.
What is the SMILES notation for N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The canonical SMILES for N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine is c1ccc(-c2ccc(-c3ccc4c5c(N(c6ccccc6)c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc6ccccc6c5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The InChIKey is XNQMOYCJXXQQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-16-41(17-5-1)42-28-30-43(31-29-42)45-34-37-55-57(39-45)62(49-22-8-3-9-23-49)60-52-25-13-11-19-47(52)40-58(59(55)60)61(48-20-6-2-7-21-48)50-35-32-44(33-36-50)56-38-46-18-10-12-24-51(46)53-26-14-15-27-54(53)56/h1-40H.
What are the key properties of N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine?
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine has a molecular weight of 788.99 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine is sourced from PubChem (CID 174307494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).