[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine

C23H19N — CID 91058066

IUPAC[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(-c2ccccc2C2=C(C)C=CC2)ccc2ccccc12
InChIInChI=1S/C23H19N/c1-16-7-6-12-18(16)20-10-4-5-11-21(20)22-14-13-17-8-2-3-9-19(17)23(22)15-24/h2-11,13-15,24H,12H2,1H3/b24-15+
InChIKeyIGZZQGFDPFBHCV-BUVRLJJBSA-N
MW309.41 g/mol
LogP6.24
Rot. Bonds3

About [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine

[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine (PubChem CID 91058066) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine.

Molecular Properties

Compound Name[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
PubChem CID91058066
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
SMILES[H]/N=C/c1c(-c2ccccc2C2=C(C)C=CC2)ccc2ccccc12
InChIInChI=1S/C23H19N/c1-16-7-6-12-18(16)20-10-4-5-11-21(20)22-14-13-17-8-2-3-9-19(17)23(22)15-24/h2-11,13-15,24H,12H2,1H3/b24-15+
InChIKeyIGZZQGFDPFBHCV-BUVRLJJBSA-N
XLogP6.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine
CID 90836351
1-[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]ethanol
CID 68548317
N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 173092310
[2-(2-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
CID 87501338
[2-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 91117522
1-(2-methylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide;zirconium(3+);dichloride
CID 87394466
butylazanide;1-methanidyl-2-(2-methylcyclopenta-1,3-dien-1-yl)benzene;titanium(2+);dichloride
CID 23014951
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
CID 146369049
[2-[2-(9H-fluoren-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 91218088
1-[4-[1-methanimidoyl-3-(2,3,4-trimethylphenyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 91427773
N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline
CID 23015221
[2-(chloromethyl)phenanthren-1-yl]methanimine
CID 144673749

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
The IUPAC name of [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine (CID 91058066) is [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine.
What is the SMILES notation for [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
The canonical SMILES for [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine is [H]/N=C/c1c(-c2ccccc2C2=C(C)C=CC2)ccc2ccccc12.
What is the InChIKey of [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
The InChIKey is IGZZQGFDPFBHCV-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N/c1-16-7-6-12-18(16)20-10-4-5-11-21(20)22-14-13-17-8-2-3-9-19(17)23(22)15-24/h2-11,13-15,24H,12H2,1H3/b24-15+.
What are the key properties of [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine?
[2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine has a molecular weight of 309.41 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]naphthalen-1-yl]methanimine is sourced from PubChem (CID 91058066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).