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

C62H42N2 — CID 177101126

IUPAC2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-17-43(18-4-1)44-33-38-49(39-34-44)63(58-31-13-10-26-55(58)54-29-15-22-45-21-7-8-24-51(45)54)50-40-35-47(36-41-50)52-25-9-12-30-57(52)64-59-32-14-11-27-56(59)62-60(64)42-37-48-23-16-28-53(61(48)62)46-19-5-2-6-20-46/h1-42H
InChIKeyPQKMNELCXFZJBA-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

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

2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 177101126) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID177101126
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC Name2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-17-43(18-4-1)44-33-38-49(39-34-44)63(58-31-13-10-26-55(58)54-29-15-22-45-21-7-8-24-51(45)54)50-40-35-47(36-41-50)52-25-9-12-30-57(52)64-59-32-14-11-27-56(59)62-60(64)42-37-48-23-16-28-53(61(48)62)46-19-5-2-6-20-46/h1-42H
InChIKeyPQKMNELCXFZJBA-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 177101055
5-(1-phenylbenzo[c]carbazol-7-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 177100828
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 177100999
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 167322687
N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167322316
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322387
N-phenyl-N-[4-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]phenyl]naphthalen-1-amine
CID 177101002
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 177101126) is 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5c6c(-c7ccccc7)cccc6ccc54)cc3)c3ccccc3-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is PQKMNELCXFZJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-17-43(18-4-1)44-33-38-49(39-34-44)63(58-31-13-10-26-55(58)54-29-15-22-45-21-7-8-24-51(45)54)50-40-35-47(36-41-50)52-25-9-12-30-57(52)64-59-32-14-11-27-56(59)62-60(64)42-37-48-23-16-28-53(61(48)62)46-19-5-2-6-20-46/h1-42H.
What are the key properties of 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline?
2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177101126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).