N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine

C56H38N2 — CID 174306026

IUPACN-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3c(-c5ccccc5)cc5ccccc5c3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-4-14-39(15-5-1)42-24-29-47(30-25-42)57(49-33-28-41-18-10-11-21-45(41)36-49)50-34-35-54-53(38-50)55-52(44-19-8-3-9-20-44)37-46-22-12-13-23-51(46)56(55)58(54)48-31-26-43(27-32-48)40-16-6-2-7-17-40/h1-38H
InChIKeyYFIOQDRCOUMNPO-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine

N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine (PubChem CID 174306026) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine
PubChem CID174306026
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3c(-c5ccccc5)cc5ccccc5c3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-4-14-39(15-5-1)42-24-29-47(30-25-42)57(49-33-28-41-18-10-11-21-45(41)36-49)50-34-35-54-53(38-50)55-52(44-19-8-3-9-20-44)37-46-22-12-13-23-51(46)56(55)58(54)48-31-26-43(27-32-48)40-16-6-2-7-17-40/h1-38H
InChIKeyYFIOQDRCOUMNPO-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166660282
N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine
CID 174307834
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
benzene;N-naphthalen-2-yl-N-[4-[5-(4-phenylphenyl)indolo[3,2-c]carbazol-12-yl]phenyl]naphthalen-2-amine
CID 145273265
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
CID 167196384
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660622
N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine
CID 174305875

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine?
The IUPAC name of N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine (CID 174306026) is N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine.
What is the SMILES notation for N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine?
The canonical SMILES for N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)c3c(-c5ccccc5)cc5ccccc5c3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine?
The InChIKey is YFIOQDRCOUMNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-4-14-39(15-5-1)42-24-29-47(30-25-42)57(49-33-28-41-18-10-11-21-45(41)36-49)50-34-35-54-53(38-50)55-52(44-19-8-3-9-20-44)37-46-22-12-13-23-51(46)56(55)58(54)48-31-26-43(27-32-48)40-16-6-2-7-17-40/h1-38H.
What are the key properties of N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine?
N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine is sourced from PubChem (CID 174306026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).