2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole

C42H30N2O — CID 156659584

IUPAC2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cccc3c2oc2c3ccc3c4ccccc4ccc32)nc2ccccc21
InChIInChI=1S/C42H30N2O/c1-26(2)29-16-10-17-31(27-12-4-3-5-13-27)39(29)44-38-21-9-8-20-37(38)43-42(44)36-19-11-18-33-35-25-24-32-30-15-7-6-14-28(30)22-23-34(32)40(35)45-41(33)36/h3-26H,1-2H3
InChIKeyWQGIFWCJWHKYNO-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.69
Rot. Bonds4

About 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole

2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole (PubChem CID 156659584) has the molecular formula C42H30N2O and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
PubChem CID156659584
Molecular FormulaC42H30N2O
Molecular Weight578.72 g/mol
Exact Mass578.24
IUPAC Name2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
SMILESCC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cccc3c2oc2c3ccc3c4ccccc4ccc32)nc2ccccc21
InChIInChI=1S/C42H30N2O/c1-26(2)29-16-10-17-31(27-12-4-3-5-13-27)39(29)44-38-21-9-8-20-37(38)43-42(44)36-19-11-18-33-35-25-24-32-30-15-7-6-14-28(30)22-23-34(32)40(35)45-41(33)36/h3-26H,1-2H3
InChIKeyWQGIFWCJWHKYNO-UHFFFAOYSA-N
XLogP11.69
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
CID 176583988
1-[4-(2-methylpropyl)-2,6-di(propan-2-yl)phenyl]-2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazole
CID 167339206
10-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-f]isoquinoline
CID 176752056
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
trimethyl-[4-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]phenyl]germane
CID 168743438
2-(7-tert-butylphenanthro[1,2-b][1]benzofuran-10-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176724514
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)benzimidazole
CID 156657597
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
2-[6-[1-(4-tert-butyl-2-phenyl-6-propan-2-ylphenyl)benzimidazol-2-yl]dibenzofuran-3-yl]propan-2-ol
CID 167356162

Frequently Asked Questions

What is the IUPAC name of 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole (CID 156659584) is 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole is CC(C)c1cccc(-c2ccccc2)c1-n1c(-c2cccc3c2oc2c3ccc3c4ccccc4ccc32)nc2ccccc21.
What is the InChIKey of 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole?
The InChIKey is WQGIFWCJWHKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O/c1-26(2)29-16-10-17-31(27-12-4-3-5-13-27)39(29)44-38-21-9-8-20-37(38)43-42(44)36-19-11-18-33-35-25-24-32-30-15-7-6-14-28(30)22-23-34(32)40(35)45-41(33)36/h3-26H,1-2H3.
What are the key properties of 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole?
2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole has a molecular weight of 578.72 g/mol, XLogP of 11.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 156659584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).