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

C54H54N2 — CID 170297952

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine
SMILESCC(C)(C)c1cc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H54N2/c1-53(2,3)39-33-40(54(4,5)6)35-43(34-39)55(42-31-32-51-48(36-42)46-26-14-16-30-50(46)56(51)41-23-11-8-12-24-41)49-29-15-13-25-45(49)47-28-18-22-38-21-17-27-44(52(38)47)37-19-9-7-10-20-37/h8,11-18,21-37H,7,9-10,19-20H2,1-6H3
InChIKeyFAKVNNNNGXDXEB-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-3-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine (PubChem CID 170297952) 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-3-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine
PubChem CID170297952
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-3-amine
SMILESCC(C)(C)c1cc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C54H54N2/c1-53(2,3)39-33-40(54(4,5)6)35-43(34-39)55(42-31-32-51-48(36-42)46-26-14-16-30-50(46)56(51)41-23-11-8-12-24-41)49-29-15-13-25-45(49)47-28-18-22-38-21-17-27-44(52(38)47)37-19-9-7-10-20-37/h8,11-18,21-37H,7,9-10,19-20H2,1-6H3
InChIKeyFAKVNNNNGXDXEB-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-1-amine
CID 170297985
3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170297982
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-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 170304430
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170299509
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-(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
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170299037
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine (CID 170297952) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine is CC(C)(C)c1cc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2cccc3cccc(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-3-amine?
The InChIKey is FAKVNNNNGXDXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H54N2/c1-53(2,3)39-33-40(54(4,5)6)35-43(34-39)55(42-31-32-51-48(36-42)46-26-14-16-30-50(46)56(51)41-23-11-8-12-24-41)49-29-15-13-25-45(49)47-28-18-22-38-21-17-27-44(52(38)47)37-19-9-7-10-20-37/h8,11-18,21-37H,7,9-10,19-20H2,1-6H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-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-3-amine is sourced from PubChem (CID 170297952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).