[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine

C27H21N — CID 87493467

IUPAC[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine
SMILES[H]/N=C/c1c(C2C(C)=Cc3ccccc32)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H21N/c1-18-15-20-11-5-7-13-22(20)26(18)24-16-21-12-6-8-14-23(21)27(25(24)17-28)19-9-3-2-4-10-19/h2-17,26,28H,1H3/b28-17+
InChIKeyYFRHVBCUGYQVKV-OGLMXYFKSA-N
MW359.47 g/mol
LogP7.05
Rot. Bonds3

About [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine

[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine (PubChem CID 87493467) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine.

Molecular Properties

Compound Name[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine
PubChem CID87493467
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine
SMILES[H]/N=C/c1c(C2C(C)=Cc3ccccc32)cc2ccccc2c1-c1ccccc1
InChIInChI=1S/C27H21N/c1-18-15-20-11-5-7-13-22(20)26(18)24-16-21-12-6-8-14-23(21)27(25(24)17-28)19-9-3-2-4-10-19/h2-17,26,28H,1H3/b28-17+
InChIKeyYFRHVBCUGYQVKV-OGLMXYFKSA-N
XLogP7.05
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.05
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

[3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine
CID 87494464
2-methyl-3-(2-methyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalene
CID 87557442
1-cyclohexyl-2-methyl-3-(2-methyl-1H-inden-1-yl)naphthalene
CID 87492929
2-(2-methyl-1H-inden-1-yl)naphthalene-1-carbaldehyde
CID 139946468
3-(2-methyl-1H-inden-1-yl)naphthalene-2-carbaldehyde
CID 139946435
2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
CID 167712192
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
CID 146369049
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
CID 139951457
5-phenyl-11H-benzo[b]fluoren-11-ol
CID 11130631
[1-[3-(2-methyl-1H-inden-1-yl)cyclohexyl]naphthalen-2-yl]methanimine
CID 90708585
9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
CID 123993670
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265

Frequently Asked Questions

What is the IUPAC name of [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine?
The IUPAC name of [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine (CID 87493467) is [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine.
What is the SMILES notation for [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine?
The canonical SMILES for [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine is [H]/N=C/c1c(C2C(C)=Cc3ccccc32)cc2ccccc2c1-c1ccccc1.
What is the InChIKey of [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine?
The InChIKey is YFRHVBCUGYQVKV-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H21N/c1-18-15-20-11-5-7-13-22(20)26(18)24-16-21-12-6-8-14-23(21)27(25(24)17-28)19-9-3-2-4-10-19/h2-17,26,28H,1H3/b28-17+.
What are the key properties of [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine?
[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine has a molecular weight of 359.47 g/mol, XLogP of 7.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine is sourced from PubChem (CID 87493467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).