8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

C38H23N3O — CID 126500751

IUPAC8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc1
InChIInChI=1S/C38H23N3O/c1-2-10-24(11-3-1)38-40-36-30-16-6-4-14-28(30)29-15-5-7-17-31(29)37(36)41(38)27-13-8-12-25(22-27)26-19-20-33-32(23-26)35-34(42-33)18-9-21-39-35/h1-23H
InChIKeyCPLGGLPFMLXKRY-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.96
Rot. Bonds3

About 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 126500751) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID126500751
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc1
InChIInChI=1S/C38H23N3O/c1-2-10-24(11-3-1)38-40-36-30-16-6-4-14-28(30)29-15-5-7-17-31(29)37(36)41(38)27-13-8-12-25(22-27)26-19-20-33-32(23-26)35-34(42-33)18-9-21-39-35/h1-23H
InChIKeyCPLGGLPFMLXKRY-UHFFFAOYSA-N
XLogP9.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 126500751) is 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4oc5cccnc5c4c3)c2)cc1.
What is the InChIKey of 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is CPLGGLPFMLXKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-2-10-24(11-3-1)38-40-36-30-16-6-4-14-28(30)29-15-5-7-17-31(29)37(36)41(38)27-13-8-12-25(22-27)26-19-20-33-32(23-26)35-34(42-33)18-9-21-39-35/h1-23H.
What are the key properties of 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 537.62 g/mol, XLogP of 9.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 126500751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).