1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine

C29H25N — CID 23015202

IUPAC1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c(C3C=Cc4ccccc43)ccc3ccccc23)c(C)c1
InChIInChI=1S/C29H25N/c1-19-16-20(2)29(21(3)17-19)30-18-28-25-11-7-5-9-23(25)13-15-27(28)26-14-12-22-8-4-6-10-24(22)26/h4-18,26H,1-3H3/b30-18+
InChIKeyQRKIHDLHWQWSHI-UXHLAJHPSA-N
MW387.53 g/mol
LogP7.67
Rot. Bonds3

About 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine

1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 23015202) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID23015202
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c(C3C=Cc4ccccc43)ccc3ccccc23)c(C)c1
InChIInChI=1S/C29H25N/c1-19-16-20(2)29(21(3)17-19)30-18-28-25-11-7-5-9-23(25)13-15-27(28)26-14-12-22-8-4-6-10-24(22)26/h4-18,26H,1-3H3/b30-18+
InChIKeyQRKIHDLHWQWSHI-UXHLAJHPSA-N
XLogP7.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopenta-2,4-dien-1-ylnaphthalen-1-yl)-N-(2,4,6-trimethylphenyl)methanimine
CID 154426377
4-(1H-inden-1-yl)-2-methylphenanthrene
CID 142655512
1-[(2,4,6-trimethylphenyl)iminomethyl]naphthalen-2-ol
CID 1284713
1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
CID 139946423
1-(1H-inden-1-yl)-2-propylnaphthalene
CID 21095753
N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline
CID 23015745
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
1-(3-ethylphenyl)-1H-indene
CID 87675189
1-[2-(2-methyl-1H-inden-1-yl)phenyl]-N-(2,4,6-trimethylphenyl)methanimine
CID 23015948
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
1-(2,6-dimethylphenyl)-N-naphthalen-1-ylmethanimine
CID 71530075
carbanide;iron(2+);N-(2,4,6-trimethylphenyl)-1-[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 22968339

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine (CID 23015202) is 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2c(C3C=Cc4ccccc43)ccc3ccccc23)c(C)c1.
What is the InChIKey of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is QRKIHDLHWQWSHI-UXHLAJHPSA-N. The full InChI is InChI=1S/C29H25N/c1-19-16-20(2)29(21(3)17-19)30-18-28-25-11-7-5-9-23(25)13-15-27(28)26-14-12-22-8-4-6-10-24(22)26/h4-18,26H,1-3H3/b30-18+.
What are the key properties of 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 387.53 g/mol, XLogP of 7.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 23015202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).