6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine

C38H23N3O — CID 126500743

IUPAC6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4oc5cnccc5c4c3)c2)cc1
InChIInChI=1S/C38H23N3O/c1-2-9-24(10-3-1)38-40-36-31-15-6-4-13-28(31)29-14-5-7-16-32(29)37(36)41(38)27-12-8-11-25(21-27)26-17-18-34-33(22-26)30-19-20-39-23-35(30)42-34/h1-23H
InChIKeyRAHLFBRKGLEGTJ-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.96
Rot. Bonds3

About 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine

6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 126500743) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID126500743
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4oc5cnccc5c4c3)c2)cc1
InChIInChI=1S/C38H23N3O/c1-2-9-24(10-3-1)38-40-36-31-15-6-4-13-28(31)29-14-5-7-16-32(29)37(36)41(38)27-12-8-11-25(21-27)26-17-18-34-33(22-26)30-19-20-39-23-35(30)42-34/h1-23H
InChIKeyRAHLFBRKGLEGTJ-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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Related Compounds

3-(3-dibenzofuran-2-ylphenyl)-2-naphthalen-1-ylphenanthro[9,10-d]imidazole
CID 126500735
6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 126500748
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
5-(4-methylphenyl)-4-phenyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 129269074
3-[3-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]phenyl]-4-phenyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),8,10,13,15-octaene
CID 163520908
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750
2-dibenzofuran-4-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500681
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridin-2-ylphenanthro[9,10-d]imidazole
CID 126500675
6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
CID 90250427
8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 140703732
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
CID 58038552

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine (CID 126500743) is 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4oc5cnccc5c4c3)c2)cc1.
What is the InChIKey of 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is RAHLFBRKGLEGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-2-9-24(10-3-1)38-40-36-31-15-6-4-13-28(31)29-14-5-7-16-32(29)37(36)41(38)27-12-8-11-25(21-27)26-17-18-34-33(22-26)30-19-20-39-23-35(30)42-34/h1-23H.
What are the key properties of 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine?
6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]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 6-[3-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 126500743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).