N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline

C56H38N2 — CID 177100994

IUPACN-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)c3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-14-39(15-4-1)40-28-33-45(34-29-40)57(46-35-30-43(31-36-46)50-25-11-19-41-18-7-8-23-49(41)50)47-21-13-22-48(38-47)58-53-27-10-9-24-52(53)56-54(58)37-32-44-20-12-26-51(55(44)56)42-16-5-2-6-17-42/h1-38H
InChIKeyBNUHTLIWCIXOBG-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline

N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline (PubChem CID 177100994) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
PubChem CID177100994
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)c3)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-14-39(15-4-1)40-28-33-45(34-29-40)57(46-35-30-43(31-36-46)50-25-11-19-41-18-7-8-23-49(41)50)47-21-13-22-48(38-47)58-53-27-10-9-24-52(53)56-54(58)37-32-44-20-12-26-51(55(44)56)42-16-5-2-6-17-42/h1-38H
InChIKeyBNUHTLIWCIXOBG-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

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
CID 177100985
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
N-[4-(1-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 177101101
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline (CID 177100994) is N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)c3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is BNUHTLIWCIXOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-14-39(15-4-1)40-28-33-45(34-29-40)57(46-35-30-43(31-36-46)50-25-11-19-41-18-7-8-23-49(41)50)47-21-13-22-48(38-47)58-53-27-10-9-24-52(53)56-54(58)37-32-44-20-12-26-51(55(44)56)42-16-5-2-6-17-42/h1-38H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline?
N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline 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-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177100994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).