5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine

C52H36N2 — CID 169010271

IUPAC5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(-c6ccc7ccccc7c6)cccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-14-37(15-5-1)40-28-30-45(31-29-40)53(46-23-12-20-42(35-46)38-16-6-2-7-17-38)47-32-33-49-51(36-47)54(44-21-8-3-9-22-44)50-25-13-24-48(52(49)50)43-27-26-39-18-10-11-19-41(39)34-43/h1-36H
InChIKeyHTKKJBVINBBRBE-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

About 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine

5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 169010271) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID169010271
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(-c6ccc7ccccc7c6)cccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C52H36N2/c1-4-14-37(15-5-1)40-28-30-45(31-29-40)53(46-23-12-20-42(35-46)38-16-6-2-7-17-38)47-32-33-49-51(36-47)54(44-21-8-3-9-22-44)50-25-13-24-48(52(49)50)43-27-26-39-18-10-11-19-41(39)34-43/h1-36H
InChIKeyHTKKJBVINBBRBE-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

5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659718

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine (CID 169010271) is 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c5c(-c6ccc7ccccc7c6)cccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is HTKKJBVINBBRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-14-37(15-5-1)40-28-30-45(31-29-40)53(46-23-12-20-42(35-46)38-16-6-2-7-17-38)47-32-33-49-51(36-47)54(44-21-8-3-9-22-44)50-25-13-24-48(52(49)50)43-27-26-39-18-10-11-19-41(39)34-43/h1-36H.
What are the key properties of 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine 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 5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169010271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).