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

C35H29N — CID 23015743

IUPAC1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c(C3C(c4ccccc4)=Cc4ccccc43)ccc3ccccc23)c(C)c1
InChIInChI=1S/C35H29N/c1-23-19-24(2)35(25(3)20-23)36-22-33-29-15-9-7-13-27(29)17-18-31(33)34-30-16-10-8-14-28(30)21-32(34)26-11-5-4-6-12-26/h4-22,34H,1-3H3/b36-22+
InChIKeyLTWKCSATPIDAIN-HPNXWYHWSA-N
MW463.62 g/mol
LogP9.20
Rot. Bonds4

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

1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 23015743) has the molecular formula C35H29N and a molecular weight of 463.62 g/mol. Its IUPAC name is 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID23015743
Molecular FormulaC35H29N
Molecular Weight463.62 g/mol
Exact Mass463.23
IUPAC Name1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c(C3C(c4ccccc4)=Cc4ccccc43)ccc3ccccc23)c(C)c1
InChIInChI=1S/C35H29N/c1-23-19-24(2)35(25(3)20-23)36-22-33-29-15-9-7-13-27(29)17-18-31(33)34-30-16-10-8-14-28(30)21-32(34)26-11-5-4-6-12-26/h4-22,34H,1-3H3/b36-22+
InChIKeyLTWKCSATPIDAIN-HPNXWYHWSA-N
XLogP9.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 59.20
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine (CID 23015743) is 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2c(C3C(c4ccccc4)=Cc4ccccc43)ccc3ccccc23)c(C)c1.
What is the InChIKey of 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is LTWKCSATPIDAIN-HPNXWYHWSA-N. The full InChI is InChI=1S/C35H29N/c1-23-19-24(2)35(25(3)20-23)36-22-33-29-15-9-7-13-27(29)17-18-31(33)34-30-16-10-8-14-28(30)21-32(34)26-11-5-4-6-12-26/h4-22,34H,1-3H3/b36-22+.
What are the key properties of 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine?
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 463.62 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 23015743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).