N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C58H46N2 — CID 169028413

IUPACN-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C7CCCCC7)cc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1
InChIInChI=1S/C58H46N2/c1-3-13-41(14-4-1)42-25-27-43(28-26-42)44-29-33-48(34-30-44)59(50-37-39-51(40-38-50)60-56-23-9-7-19-54(56)55-20-8-10-24-57(55)60)49-35-31-46(32-36-49)53-22-12-18-47-17-11-21-52(58(47)53)45-15-5-2-6-16-45/h2,5-12,15-41H,1,3-4,13-14H2
InChIKeyJQBCXZUCGAEEHQ-UHFFFAOYSA-N
MW771.02 g/mol
LogP16.46
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 169028413) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID169028413
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C7CCCCC7)cc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1
InChIInChI=1S/C58H46N2/c1-3-13-41(14-4-1)42-25-27-43(28-26-42)44-29-33-48(34-30-44)59(50-37-39-51(40-38-50)60-56-23-9-7-19-54(56)55-20-8-10-24-57(55)60)49-35-31-46(32-36-49)53-22-12-18-47-17-11-21-52(58(47)53)45-15-5-2-6-16-45/h2,5-12,15-41H,1,3-4,13-14H2
InChIKeyJQBCXZUCGAEEHQ-UHFFFAOYSA-N
XLogP16.46
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380154
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-[4-(11-azaheptacyclo[19.7.1.02,14.04,12.05,10.015,20.025,29]nonacosa-1(28),2(14),3,5,7,9,12,15,17,19,21,23,25(29),26-tetradecaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 155771544
9-[4-(4-cyclohexylphenyl)phenyl]-N-(2,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128271
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 169028413) is N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6ccc(C7CCCCC7)cc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is JQBCXZUCGAEEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-3-13-41(14-4-1)42-25-27-43(28-26-42)44-29-33-48(34-30-44)59(50-37-39-51(40-38-50)60-56-23-9-7-19-54(56)55-20-8-10-24-57(55)60)49-35-31-46(32-36-49)53-22-12-18-47-17-11-21-52(58(47)53)45-15-5-2-6-16-45/h2,5-12,15-41H,1,3-4,13-14H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 771.02 g/mol, XLogP of 16.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 169028413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).