2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline

C53H46N2 — CID 170297879

IUPAC2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline
SMILESCC1(c2cccc3c2c2ccccc2n3-c2ccccc2)C=CC(N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)=CC1
InChIInChI=1S/C53H46N2/c1-53(47-30-17-33-50-52(47)46-27-12-14-32-49(46)55(50)41-24-9-4-10-25-41)36-34-42(35-37-53)54(40-22-7-3-8-23-40)48-31-13-11-26-44(48)45-29-16-21-39-20-15-28-43(51(39)45)38-18-5-2-6-19-38/h3-4,7-17,20-36,38H,2,5-6,18-19,37H2,1H3
InChIKeyGKWKOSGZXCOGGJ-UHFFFAOYSA-N
MW710.97 g/mol
LogP14.59
Rot. Bonds7

About 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline

2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline (PubChem CID 170297879) has the molecular formula C53H46N2 and a molecular weight of 710.97 g/mol. Its IUPAC name is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline.

Molecular Properties

Compound Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline
PubChem CID170297879
Molecular FormulaC53H46N2
Molecular Weight710.97 g/mol
Exact Mass710.37
IUPAC Name2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline
SMILESCC1(c2cccc3c2c2ccccc2n3-c2ccccc2)C=CC(N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)=CC1
InChIInChI=1S/C53H46N2/c1-53(47-30-17-33-50-52(47)46-27-12-14-32-49(46)55(50)41-24-9-4-10-25-41)36-34-42(35-37-53)54(40-22-7-3-8-23-40)48-31-13-11-26-44(48)45-29-16-21-39-20-15-28-43(51(39)45)38-18-5-2-6-19-38/h3-4,7-17,20-36,38H,2,5-6,18-19,37H2,1H3
InChIKeyGKWKOSGZXCOGGJ-UHFFFAOYSA-N
XLogP14.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.97
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304397
N-(4-tert-butylphenyl)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170297990
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304503
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-4-amine
CID 170297763
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170303290
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170304489
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-2-amine
CID 170304432
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304414
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304378
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzothiophen-4-ylphenyl)-2-(9-phenylcarbazol-4-yl)aniline
CID 170299224
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-(3,5-ditert-butylphenyl)-9-phenylcarbazol-3-amine
CID 170297952

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline?
The IUPAC name of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline (CID 170297879) is 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline.
What is the SMILES notation for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline?
The canonical SMILES for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline is CC1(c2cccc3c2c2ccccc2n3-c2ccccc2)C=CC(N(c2ccccc2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)=CC1.
What is the InChIKey of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline?
The InChIKey is GKWKOSGZXCOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46N2/c1-53(47-30-17-33-50-52(47)46-27-12-14-32-49(46)55(50)41-24-9-4-10-25-41)36-34-42(35-37-53)54(40-22-7-3-8-23-40)48-31-13-11-26-44(48)45-29-16-21-39-20-15-28-43(51(39)45)38-18-5-2-6-19-38/h3-4,7-17,20-36,38H,2,5-6,18-19,37H2,1H3.
What are the key properties of 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline?
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline has a molecular weight of 710.97 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexylnaphthalen-1-yl)-N-[4-methyl-4-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]-N-phenylaniline is sourced from PubChem (CID 170297879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).