4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline

C62H42N2 — CID 177100999

IUPAC4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c(-n6c7ccccc7c7c8c(-c9ccccc9)cccc8ccc76)cccc45)cc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-4-15-43(16-5-1)45-29-36-50(37-30-45)63(51-38-31-46(32-39-51)44-17-6-2-7-18-44)52-40-33-48(34-41-52)53-23-13-26-56-55(53)25-14-28-58(56)64-59-27-11-10-22-57(59)62-60(64)42-35-49-21-12-24-54(61(49)62)47-19-8-3-9-20-47/h1-42H
InChIKeyAISDZRXOVJAXTC-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 177100999) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID177100999
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC Name4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c(-n6c7ccccc7c7c8c(-c9ccccc9)cccc8ccc76)cccc45)cc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-4-15-43(16-5-1)45-29-36-50(37-30-45)63(51-38-31-46(32-39-51)44-17-6-2-7-18-44)52-40-33-48(34-41-52)53-23-13-26-56-55(53)25-14-28-58(56)64-59-27-11-10-22-57(59)62-60(64)42-35-49-21-12-24-54(61(49)62)47-19-8-3-9-20-47/h1-42H
InChIKeyAISDZRXOVJAXTC-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

5-(1-phenylbenzo[c]carbazol-7-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 177100828
N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167322316
N-[4-(3-benzo[c]carbazol-7-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170271942
2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 177101126
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
CID 177100994
N,4-diphenyl-N-[4-[1-(2-phenylphenyl)benzo[c]carbazol-7-yl]phenyl]aniline
CID 177100985
2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 177101055
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
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 177100999) is 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c(-n6c7ccccc7c7c8c(-c9ccccc9)cccc8ccc76)cccc45)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is AISDZRXOVJAXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-4-15-43(16-5-1)45-29-36-50(37-30-45)63(51-38-31-46(32-39-51)44-17-6-2-7-18-44)52-40-33-48(34-41-52)53-23-13-26-56-55(53)25-14-28-58(56)64-59-27-11-10-22-57(59)62-60(64)42-35-49-21-12-24-54(61(49)62)47-19-8-3-9-20-47/h1-42H.
What are the key properties of 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]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 4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177100999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).