[3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine

C23H19N — CID 141067416

IUPAC[3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1cc2ccccc2cc1C1C=CC(C)=C1
InChIInChI=1S/C23H19N/c1-16-11-12-20(13-16)21-14-18-9-5-6-10-19(18)15-22(21)23(24)17-7-3-2-4-8-17/h2-15,20,24H,1H3/b24-23+
InChIKeyZSGQVQQSRWJZPZ-WCWDXBQESA-N
MW309.41 g/mol
LogP5.86
Rot. Bonds3

About [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine

[3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine (PubChem CID 141067416) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine.

Molecular Properties

Compound Name[3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine
PubChem CID141067416
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name[3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1cc2ccccc2cc1C1C=CC(C)=C1
InChIInChI=1S/C23H19N/c1-16-11-12-20(13-16)21-14-18-9-5-6-10-19(18)15-22(21)23(24)17-7-3-2-4-8-17/h2-15,20,24H,1H3/b24-23+
InChIKeyZSGQVQQSRWJZPZ-WCWDXBQESA-N
XLogP5.86
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 ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine?
The IUPAC name of [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine (CID 141067416) is [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine.
What is the SMILES notation for [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine?
The canonical SMILES for [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine is [H]/N=C(\c1ccccc1)c1cc2ccccc2cc1C1C=CC(C)=C1.
What is the InChIKey of [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine?
The InChIKey is ZSGQVQQSRWJZPZ-WCWDXBQESA-N. The full InChI is InChI=1S/C23H19N/c1-16-11-12-20(13-16)21-14-18-9-5-6-10-19(18)15-22(21)23(24)17-7-3-2-4-8-17/h2-15,20,24H,1H3/b24-23+.
What are the key properties of [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine?
[3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine has a molecular weight of 309.41 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylcyclopenta-2,4-dien-1-yl)naphthalen-2-yl]-phenylmethanimine is sourced from PubChem (CID 141067416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).