N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline

C52H36N2 — CID 174306559

IUPACN,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4c3c3ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-5-15-37(16-6-1)38-25-27-40(28-26-38)49-35-42-17-13-14-24-47(42)52-51(49)48-34-31-41(36-50(48)54(52)45-22-11-4-12-23-45)39-29-32-46(33-30-39)53(43-18-7-2-8-19-43)44-20-9-3-10-21-44/h1-36H
InChIKeyUJDSDCACVCPQBN-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline

N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline (PubChem CID 174306559) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
PubChem CID174306559
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
SMILESc1ccc(-c2ccc(-c3cc4ccccc4c4c3c3ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-5-15-37(16-6-1)38-25-27-40(28-26-38)49-35-42-17-13-14-24-47(42)52-51(49)48-34-31-41(36-50(48)54(52)45-22-11-4-12-23-45)39-29-32-46(33-30-39)53(43-18-7-2-8-19-43)44-20-9-3-10-21-44/h1-36H
InChIKeyUJDSDCACVCPQBN-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660622
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307062
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166660282
N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
CID 167196384
N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174306801

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline (CID 174306559) is N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline is c1ccc(-c2ccc(-c3cc4ccccc4c4c3c3ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline?
The InChIKey is UJDSDCACVCPQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-5-15-37(16-6-1)38-25-27-40(28-26-38)49-35-42-17-13-14-24-47(42)52-51(49)48-34-31-41(36-50(48)54(52)45-22-11-4-12-23-45)39-29-32-46(33-30-39)53(43-18-7-2-8-19-43)44-20-9-3-10-21-44/h1-36H.
What are the key properties of N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline?
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline is sourced from PubChem (CID 174306559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).