5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline

C62H54N2 — CID 170297549

IUPAC5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(N(c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C62H54N2/c1-62(2,3)47-38-40-50(43-21-7-4-8-22-43)60(42-47)64(58-36-18-15-31-53(58)55-33-20-26-45-25-19-32-51(61(45)55)44-23-9-5-10-24-44)56-34-16-13-29-49(56)46-37-39-54-52-30-14-17-35-57(52)63(59(54)41-46)48-27-11-6-12-28-48/h4,6-8,11-22,25-42,44H,5,9-10,23-24H2,1-3H3
InChIKeyYRAQCNOHUVWXML-UHFFFAOYSA-N
MW827.13 g/mol
LogP17.75
Rot. Bonds8

About 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline

5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 170297549) has the molecular formula C62H54N2 and a molecular weight of 827.13 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound Name5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID170297549
Molecular FormulaC62H54N2
Molecular Weight827.13 g/mol
Exact Mass826.43
IUPAC Name5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(-c2ccccc2)c(N(c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1
InChIInChI=1S/C62H54N2/c1-62(2,3)47-38-40-50(43-21-7-4-8-22-43)60(42-47)64(58-36-18-15-31-53(58)55-33-20-26-45-25-19-32-51(61(45)55)44-23-9-5-10-24-44)56-34-16-13-29-49(56)46-37-39-54-52-30-14-17-35-57(52)63(59(54)41-46)48-27-11-6-12-28-48/h4,6-8,11-22,25-42,44H,5,9-10,23-24H2,1-3H3
InChIKeyYRAQCNOHUVWXML-UHFFFAOYSA-N
XLogP17.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.13
LogP ≤ 517.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297926
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170297632
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
CID 170297763
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)-9-phenylcarbazol-2-amine
CID 170303263
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N,2-diphenylaniline
CID 170289420
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine
CID 170297952
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170297990
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304378

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 170297549) is 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline is CC(C)(C)c1ccc(-c2ccccc2)c(N(c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c1.
What is the InChIKey of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is YRAQCNOHUVWXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N2/c1-62(2,3)47-38-40-50(43-21-7-4-8-22-43)60(42-47)64(58-36-18-15-31-53(58)55-33-20-26-45-25-19-32-51(61(45)55)44-23-9-5-10-24-44)56-34-16-13-29-49(56)46-37-39-54-52-30-14-17-35-57(52)63(59(54)41-46)48-27-11-6-12-28-48/h4,6-8,11-22,25-42,44H,5,9-10,23-24H2,1-3H3.
What are the key properties of 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 827.13 g/mol, XLogP of 17.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 170297549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).