12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine

C35H23N — CID 59183703

IUPAC12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4c3cnc3ccccc34)cc2)cc1
InChIInChI=1S/C35H23N/c1-3-11-24(12-4-1)25-19-21-27(22-20-25)33-28-15-7-8-16-29(28)34(26-13-5-2-6-14-26)35-30-17-9-10-18-32(30)36-23-31(33)35/h1-23H
InChIKeyHDYYPEAJHAHQEC-UHFFFAOYSA-N
MW457.58 g/mol
LogP9.54
Rot. Bonds3

About 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine

12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine (PubChem CID 59183703) has the molecular formula C35H23N and a molecular weight of 457.58 g/mol. Its IUPAC name is 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine.

Molecular Properties

Compound Name12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
PubChem CID59183703
Molecular FormulaC35H23N
Molecular Weight457.58 g/mol
Exact Mass457.18
IUPAC Name12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4c3cnc3ccccc34)cc2)cc1
InChIInChI=1S/C35H23N/c1-3-11-24(12-4-1)25-19-21-27(22-20-25)33-28-15-7-8-16-29(28)34(26-13-5-2-6-14-26)35-30-17-9-10-18-32(30)36-23-31(33)35/h1-23H
InChIKeyHDYYPEAJHAHQEC-UHFFFAOYSA-N
XLogP9.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine?
The IUPAC name of 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine (CID 59183703) is 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine.
What is the SMILES notation for 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine?
The canonical SMILES for 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4c3cnc3ccccc34)cc2)cc1.
What is the InChIKey of 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine?
The InChIKey is HDYYPEAJHAHQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N/c1-3-11-24(12-4-1)25-19-21-27(22-20-25)33-28-15-7-8-16-29(28)34(26-13-5-2-6-14-26)35-30-17-9-10-18-32(30)36-23-31(33)35/h1-23H.
What are the key properties of 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine?
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine has a molecular weight of 457.58 g/mol, XLogP of 9.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine is sourced from PubChem (CID 59183703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).