N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine

C58H46N2 — CID 170297719

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc2)cc1
InChIInChI=1S/C58H46N2/c1-4-18-41(19-5-1)42-34-36-44(37-35-42)48-26-10-13-31-54(48)60(47-38-39-52-50-27-11-14-32-55(50)59(57(52)40-47)46-24-8-3-9-25-46)56-33-15-12-28-51(56)53-30-17-23-45-22-16-29-49(58(45)53)43-20-6-2-7-21-43/h1,3-5,8-19,22-40,43H,2,6-7,20-21H2
InChIKeyQTWLZGUKJZKVAU-UHFFFAOYSA-N
MW771.02 g/mol
LogP16.46
Rot. Bonds8

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

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine (PubChem CID 170297719) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
PubChem CID170297719
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc2)cc1
InChIInChI=1S/C58H46N2/c1-4-18-41(19-5-1)42-34-36-44(37-35-42)48-26-10-13-31-54(48)60(47-38-39-52-50-27-11-14-32-55(50)59(57(52)40-47)46-24-8-3-9-25-46)56-33-15-12-28-51(56)53-30-17-23-45-22-16-29-49(58(45)53)43-20-6-2-7-21-43/h1,3-5,8-19,22-40,43H,2,6-7,20-21H2
InChIKeyQTWLZGUKJZKVAU-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-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170299185
N-[4-(4-cyclohexylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169028788
3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297982
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297637
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
CID 170297763
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2,4-diphenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170297760
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-2-amine
CID 170299554
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297549
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 170299552
2-(8-cyclohexylnaphthalen-1-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170299090

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine (CID 170297719) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cc2)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine?
The InChIKey is QTWLZGUKJZKVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-4-18-41(19-5-1)42-34-36-44(37-35-42)48-26-10-13-31-54(48)60(47-38-39-52-50-27-11-14-32-55(50)59(57(52)40-47)46-24-8-3-9-25-46)56-33-15-12-28-51(56)53-30-17-23-45-22-16-29-49(58(45)53)43-20-6-2-7-21-43/h1,3-5,8-19,22-40,43H,2,6-7,20-21H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)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-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine is sourced from PubChem (CID 170297719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).