N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline

C29H25N — CID 129301196

IUPACN-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline
SMILESCC1C=C(c2ccccc2)C=CC1Nc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C29H25N/c1-21-20-25(22-8-3-2-4-9-22)16-19-29(21)30-26-17-14-24(15-18-26)28-13-7-11-23-10-5-6-12-27(23)28/h2-21,29-30H,1H3
InChIKeyFMOSQXKTULICRF-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.58
Rot. Bonds4

About N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline

N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline (PubChem CID 129301196) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline
PubChem CID129301196
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC NameN-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline
SMILESCC1C=C(c2ccccc2)C=CC1Nc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C29H25N/c1-21-20-25(22-8-3-2-4-9-22)16-19-29(21)30-26-17-14-24(15-18-26)28-13-7-11-23-10-5-6-12-27(23)28/h2-21,29-30H,1H3
InChIKeyFMOSQXKTULICRF-UHFFFAOYSA-N
XLogP7.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine
CID 147468475
N-[6-(4-chrysen-3-yl-2-phenylphenyl)-4-phenylcyclohexa-2,4-dien-1-yl]-3-phenylaniline
CID 170140940
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 157466743
6-chrysen-6-yl-4-naphthalen-2-yl-N-phenylcyclohexa-2,4-dien-1-amine
CID 170145772
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
5-[4-[10-(4-naphthalen-1-ylphenyl)-2,6-diphenylanthracen-9-yl]phenyl]-2,3-diphenyl-3a,7a-dihydro-1-benzofuran
CID 122591038
N-[4-chrysen-2-yl-6-(4-phenylphenyl)cyclohexa-2,4-dien-1-yl]-3-dibenzofuran-4-ylaniline
CID 170137589
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline?
The IUPAC name of N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline (CID 129301196) is N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline.
What is the SMILES notation for N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline?
The canonical SMILES for N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline is CC1C=C(c2ccccc2)C=CC1Nc1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline?
The InChIKey is FMOSQXKTULICRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-21-20-25(22-8-3-2-4-9-22)16-19-29(21)30-26-17-14-24(15-18-26)28-13-7-11-23-10-5-6-12-27(23)28/h2-21,29-30H,1H3.
What are the key properties of N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline?
N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline has a molecular weight of 387.53 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline is sourced from PubChem (CID 129301196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).