N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

C58H46N2 — CID 169028788

IUPACN-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C58H46N2/c1-4-16-41(17-5-1)42-30-32-43(33-31-42)44-34-36-48(37-35-44)59(49-38-39-53-51-24-10-13-29-56(51)60(57(53)40-49)47-22-8-3-9-23-47)55-28-12-11-25-52(55)54-27-15-21-46-20-14-26-50(58(46)54)45-18-6-2-7-19-45/h2-3,6-15,18-41H,1,4-5,16-17H2
InChIKeyNOEYKVZZTVUYKP-UHFFFAOYSA-N
MW771.02 g/mol
LogP16.46
Rot. Bonds8

About N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (PubChem CID 169028788) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
PubChem CID169028788
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC NameN-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1
InChIInChI=1S/C58H46N2/c1-4-16-41(17-5-1)42-30-32-43(33-31-42)44-34-36-48(37-35-44)59(49-38-39-53-51-24-10-13-29-56(51)60(57(53)40-49)47-22-8-3-9-23-47)55-28-12-11-25-52(55)54-27-15-21-46-20-14-26-50(58(46)54)45-18-6-2-7-19-45/h2-3,6-15,18-41H,1,4-5,16-17H2
InChIKeyNOEYKVZZTVUYKP-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-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
7-cyclohexyl-N-dibenzofuran-1-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028752
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
9-[4-(4-cyclohexylphenyl)phenyl]-N-(2,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128271
18-N-[2-(4-cyclohexylphenyl)phenyl]-3-N,18-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404182
N-(3-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303122
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (CID 169028788) is N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc(C6CCCCC6)cc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c23)cc1.
What is the InChIKey of N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The InChIKey is NOEYKVZZTVUYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-4-16-41(17-5-1)42-30-32-43(33-31-42)44-34-36-48(37-35-44)59(49-38-39-53-51-24-10-13-29-56(51)60(57(53)40-49)47-22-8-3-9-23-47)55-28-12-11-25-52(55)54-27-15-21-46-20-14-26-50(58(46)54)45-18-6-2-7-19-45/h2-3,6-15,18-41H,1,4-5,16-17H2.
What are the key properties of N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine 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-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 169028788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).