2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole

C31H20N2 — CID 58526346

IUPAC2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C31H20N2/c1-2-9-25(10-3-1)33-29-13-7-6-12-28(29)32-31(33)24-19-16-22-15-18-23-17-14-21-8-4-5-11-26(21)30(23)27(22)20-24/h1-20H
InChIKeyMULKOGCGJVSTAR-UHFFFAOYSA-N
MW420.52 g/mol
LogP8.15
Rot. Bonds2

About 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole

2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole (PubChem CID 58526346) has the molecular formula C31H20N2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
PubChem CID58526346
Molecular FormulaC31H20N2
Molecular Weight420.52 g/mol
Exact Mass420.16
IUPAC Name2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
SMILESc1ccc(-n2c(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc3ccccc32)cc1
InChIInChI=1S/C31H20N2/c1-2-9-25(10-3-1)33-29-13-7-6-12-28(29)32-31(33)24-19-16-22-15-18-23-17-14-21-8-4-5-11-26(21)30(23)27(22)20-24/h1-20H
InChIKeyMULKOGCGJVSTAR-UHFFFAOYSA-N
XLogP8.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
The IUPAC name of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole (CID 58526346) is 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole.
What is the SMILES notation for 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
The canonical SMILES for 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole is c1ccc(-n2c(-c3ccc4ccc5ccc6ccccc6c5c4c3)nc3ccccc32)cc1.
What is the InChIKey of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
The InChIKey is MULKOGCGJVSTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2/c1-2-9-25(10-3-1)33-29-13-7-6-12-28(29)32-31(33)24-19-16-22-15-18-23-17-14-21-8-4-5-11-26(21)30(23)27(22)20-24/h1-20H.
What are the key properties of 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole?
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole has a molecular weight of 420.52 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole is sourced from PubChem (CID 58526346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).