N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine

C23H21N — CID 129170977

IUPACN-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
SMILESCc1ccc(N(C2=CC=CCC2)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H21N/c1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23/h2-3,5-10,12-17H,4,11H2,1H3
InChIKeyFOYOHKHNHLYYRG-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.52
Rot. Bonds3

About N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine

N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine (PubChem CID 129170977) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
PubChem CID129170977
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
SMILESCc1ccc(N(C2=CC=CCC2)c2cccc3ccccc23)cc1
InChIInChI=1S/C23H21N/c1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23/h2-3,5-10,12-17H,4,11H2,1H3
InChIKeyFOYOHKHNHLYYRG-UHFFFAOYSA-N
XLogP6.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N-cyclohexa-1,3-dien-1-yl-3-ethyl-2-(2-methylnaphthalen-1-yl)-N-phenylaniline;propane
CID 144919698
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
N-cyclohexa-1,3-dien-1-yl-N,11-diphenylbenzo[a]carbazol-1-amine
CID 155034554
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
N-cyclohexa-1,3-dien-1-yl-N-[2-(9,9-dimethylfluoren-1-yl)-3-naphthalen-1-ylphenyl]-9,9-dimethylfluoren-2-amine
CID 167293388
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine (CID 129170977) is N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine is Cc1ccc(N(C2=CC=CCC2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine?
The InChIKey is FOYOHKHNHLYYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23/h2-3,5-10,12-17H,4,11H2,1H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine?
N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine has a molecular weight of 311.43 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine is sourced from PubChem (CID 129170977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).