[3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine

C35H29N — CID 87494464

IUPAC[3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1c(C2C(c3ccccc3)=Cc3ccccc32)cc2ccccc2c1-c1ccc(C)c(C)c1C
InChIInChI=1S/C35H29N/c1-22-17-18-28(24(3)23(22)2)34-29-15-9-8-14-27(29)20-32(33(34)21-36)35-30-16-10-7-13-26(30)19-31(35)25-11-5-4-6-12-25/h4-21,35-36H,1-3H3/b36-21+
InChIKeyWIWWEPGSOGUQTQ-QLQYKETESA-N
MW463.62 g/mol
LogP9.12
Rot. Bonds4

About [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine

[3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine (PubChem CID 87494464) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine.

Molecular Properties

Compound Name[3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine
PubChem CID87494464
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name[3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine
SMILES[H]/N=C/c1c(C2C(c3ccccc3)=Cc3ccccc32)cc2ccccc2c1-c1ccc(C)c(C)c1C
InChIInChI=1S/C35H29N/c1-22-17-18-28(24(3)23(22)2)34-29-15-9-8-14-27(29)20-32(33(34)21-36)35-30-16-10-7-13-26(30)19-31(35)25-11-5-4-6-12-25/h4-21,35-36H,1-3H3/b36-21+
InChIKeyWIWWEPGSOGUQTQ-QLQYKETESA-N
XLogP9.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 59.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methyl-1H-inden-1-yl)-1-phenylnaphthalen-2-yl]methanimine
CID 87493467
2-methyl-3-(2-methyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalene
CID 87557442
1-methyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 21095645
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
[1-[2-methyl-4-(3-phenylphenyl)phenyl]naphthalen-2-yl]methanimine
CID 146369049
1-[4-[1-methanimidoyl-3-(2,3,4-trimethylphenyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 91427773
[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]methanol
CID 23016258
2-methyl-N-[[2-(2-phenyl-1H-inden-1-yl)phenyl]methylideneamino]aniline
CID 68553293
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline
CID 144815588
bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride
CID 23015547

Frequently Asked Questions

What is the IUPAC name of [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine?
The IUPAC name of [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine (CID 87494464) is [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine.
What is the SMILES notation for [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine?
The canonical SMILES for [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine is [H]/N=C/c1c(C2C(c3ccccc3)=Cc3ccccc32)cc2ccccc2c1-c1ccc(C)c(C)c1C.
What is the InChIKey of [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine?
The InChIKey is WIWWEPGSOGUQTQ-QLQYKETESA-N. The full InChI is InChI=1S/C35H29N/c1-22-17-18-28(24(3)23(22)2)34-29-15-9-8-14-27(29)20-32(33(34)21-36)35-30-16-10-7-13-26(30)19-31(35)25-11-5-4-6-12-25/h4-21,35-36H,1-3H3/b36-21+.
What are the key properties of [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine?
[3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine has a molecular weight of 463.62 g/mol, XLogP of 9.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-phenyl-1H-inden-1-yl)-1-(2,3,4-trimethylphenyl)naphthalen-2-yl]methanimine is sourced from PubChem (CID 87494464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).