N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine

C54H54N2 — CID 170297985

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine
SMILESCC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H54N2/c1-53(2,3)39-34-40(54(4,5)6)36-42(35-39)55(50-33-19-30-47-45-27-14-16-32-49(45)56(52(47)50)41-24-11-8-12-25-41)48-31-15-13-26-44(48)46-29-18-23-38-22-17-28-43(51(38)46)37-20-9-7-10-21-37/h8,11-19,22-37H,7,9-10,20-21H2,1-6H3
InChIKeyYKJYFICBTIVFEA-UHFFFAOYSA-N
MW731.04 g/mol
LogP15.72
Rot. Bonds6

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine (PubChem CID 170297985) has the molecular formula C54H54N2 and a molecular weight of 731.04 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine
PubChem CID170297985
Molecular FormulaC54H54N2
Molecular Weight731.04 g/mol
Exact Mass730.43
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine
SMILESCC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H54N2/c1-53(2,3)39-34-40(54(4,5)6)36-42(35-39)55(50-33-19-30-47-45-27-14-16-32-49(45)56(52(47)50)41-24-11-8-12-25-41)48-31-15-13-26-44(48)46-29-18-23-38-22-17-28-43(51(38)46)37-20-9-7-10-21-37/h8,11-19,22-37H,7,9-10,20-21H2,1-6H3
InChIKeyYKJYFICBTIVFEA-UHFFFAOYSA-N
XLogP15.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.04
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine
CID 170297952
3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297982
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 170303260
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-1-yl)phenyl]naphthalen-2-amine
CID 170303254
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170297990
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]-N-dibenzofuran-4-yl-9-phenylcarbazol-1-amine
CID 170299555
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297637
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-phenanthren-1-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170303281
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]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719
5-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297549

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine (CID 170297985) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine is CC(C)(C)c1cc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine?
The InChIKey is YKJYFICBTIVFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54N2/c1-53(2,3)39-34-40(54(4,5)6)36-42(35-39)55(50-33-19-30-47-45-27-14-16-32-49(45)56(52(47)50)41-24-11-8-12-25-41)48-31-15-13-26-44(48)46-29-18-23-38-22-17-28-43(51(38)46)37-20-9-7-10-21-37/h8,11-19,22-37H,7,9-10,20-21H2,1-6H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine has a molecular weight of 731.04 g/mol, XLogP of 15.72, 6 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]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-1-amine is sourced from PubChem (CID 170297985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).