11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine

C30H21NO — CID 12965984

IUPAC11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccccc3)c3nc4ccccc4cc23)cc1
InChIInChI=1S/C30H21NO/c1-32-23-17-15-21(16-18-23)28-24-12-6-7-13-25(24)29(20-9-3-2-4-10-20)30-26(28)19-22-11-5-8-14-27(22)31-30/h2-19H,1H3
InChIKeyJFSGRNZETFXRNQ-UHFFFAOYSA-N
MW411.50 g/mol
LogP7.88
Rot. Bonds3

About 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine

11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine (PubChem CID 12965984) has the molecular formula C30H21NO and a molecular weight of 411.50 g/mol. Its IUPAC name is 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine.

Molecular Properties

Compound Name11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine
PubChem CID12965984
Molecular FormulaC30H21NO
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC Name11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccccc3)c3nc4ccccc4cc23)cc1
InChIInChI=1S/C30H21NO/c1-32-23-17-15-21(16-18-23)28-24-12-6-7-13-25(24)29(20-9-3-2-4-10-20)30-26(28)19-22-11-5-8-14-27(22)31-30/h2-19H,1H3
InChIKeyJFSGRNZETFXRNQ-UHFFFAOYSA-N
XLogP7.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine?
The IUPAC name of 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine (CID 12965984) is 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine.
What is the SMILES notation for 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine?
The canonical SMILES for 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine is COc1ccc(-c2c3ccccc3c(-c3ccccc3)c3nc4ccccc4cc23)cc1.
What is the InChIKey of 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine?
The InChIKey is JFSGRNZETFXRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO/c1-32-23-17-15-21(16-18-23)28-24-12-6-7-13-25(24)29(20-9-3-2-4-10-20)30-26(28)19-22-11-5-8-14-27(22)31-30/h2-19H,1H3.
What are the key properties of 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine?
11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine has a molecular weight of 411.50 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methoxyphenyl)-6-phenylbenzo[b]acridine is sourced from PubChem (CID 12965984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).