2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline

C50H34N2 — CID 177101055

IUPAC2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-n3c4ccccc4c4c5c(-c6cccc7ccccc67)cccc5ccc43)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-15-35(16-4-1)36-29-32-40(33-30-36)51(39-20-5-2-6-21-39)46-27-11-12-28-47(46)52-45-26-10-9-23-44(45)50-48(52)34-31-38-19-14-25-43(49(38)50)42-24-13-18-37-17-7-8-22-41(37)42/h1-34H
InChIKeyYTOUHEDCCWOZFM-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline

2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 177101055) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID177101055
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-n3c4ccccc4c4c5c(-c6cccc7ccccc67)cccc5ccc43)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-15-35(16-4-1)36-29-32-40(33-30-36)51(39-20-5-2-6-21-39)46-27-11-12-28-47(46)52-45-26-10-9-23-44(45)50-48(52)34-31-38-19-14-25-43(49(38)50)42-24-13-18-37-17-7-8-22-41(37)42/h1-34H
InChIKeyYTOUHEDCCWOZFM-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 177101126
5-(1-phenylbenzo[c]carbazol-7-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 177100828
N-phenyl-N-[4-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]phenyl]naphthalen-1-amine
CID 177101002
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968
4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 177100999
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
CID 177100985
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092
N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167322316
N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine
CID 169285459
N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
CID 177100994

Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline (CID 177101055) is 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-n3c4ccccc4c4c5c(-c6cccc7ccccc67)cccc5ccc43)cc2)cc1.
What is the InChIKey of 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YTOUHEDCCWOZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-15-35(16-4-1)36-29-32-40(33-30-36)51(39-20-5-2-6-21-39)46-27-11-12-28-47(46)52-45-26-10-9-23-44(45)50-48(52)34-31-38-19-14-25-43(49(38)50)42-24-13-18-37-17-7-8-22-41(37)42/h1-34H.
What are the key properties of 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177101055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).