N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C62H42N2 — CID 177100968

IUPACN-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5cccc(-c6cccc7ccccc67)c5c5c6ccccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-15-43(16-4-1)45-29-36-50(37-30-45)63(51-38-31-46(32-39-51)44-17-5-2-6-18-44)52-40-33-49(34-41-52)54-23-11-12-27-58(54)64-59-28-14-26-57(56-25-13-21-47-19-7-9-22-53(47)56)62(59)61-55-24-10-8-20-48(55)35-42-60(61)64/h1-42H
InChIKeyQBNOYAGPMIOLGE-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 177100968) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID177100968
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5cccc(-c6cccc7ccccc67)c5c5c6ccccc6ccc54)cc3)cc2)cc1
InChIInChI=1S/C62H42N2/c1-3-15-43(16-4-1)45-29-36-50(37-30-45)63(51-38-31-46(32-39-51)44-17-5-2-6-18-44)52-40-33-49(34-41-52)54-23-11-12-27-58(54)64-59-28-14-26-57(56-25-13-21-47-19-7-9-22-53(47)56)62(59)61-55-24-10-8-20-48(55)35-42-60(61)64/h1-42H
InChIKeyQBNOYAGPMIOLGE-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

N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167322316
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 177101209
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-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155038392
N-[4-(3-benzo[c]carbazol-7-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170271942
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 170927017
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
2-(1-naphthalen-1-ylbenzo[c]carbazol-7-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 177101055
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 177100968) is N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-n4c5cccc(-c6cccc7ccccc67)c5c5c6ccccc6ccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is QBNOYAGPMIOLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-3-15-43(16-4-1)45-29-36-50(37-30-45)63(51-38-31-46(32-39-51)44-17-5-2-6-18-44)52-40-33-49(34-41-52)54-23-11-12-27-58(54)64-59-28-14-26-57(56-25-13-21-47-19-7-9-22-53(47)56)62(59)61-55-24-10-8-20-48(55)35-42-60(61)64/h1-42H.
What are the key properties of N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-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 N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177100968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).