1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole

C37H32N2O — CID 162776703

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C37H32N2O/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25/h5-24H,1-4H3
InChIKeyVLJUQTOHWYKCPD-UHFFFAOYSA-N
MW520.68 g/mol
LogP10.51
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole

1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole (PubChem CID 162776703) has the molecular formula C37H32N2O and a molecular weight of 520.68 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
PubChem CID162776703
Molecular FormulaC37H32N2O
Molecular Weight520.68 g/mol
Exact Mass520.25
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21
InChIInChI=1S/C37H32N2O/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25/h5-24H,1-4H3
InChIKeyVLJUQTOHWYKCPD-UHFFFAOYSA-N
XLogP10.51
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-diphenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]benzimidazole
CID 156657361
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156657595
1-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 176865596
1-[4-(1,1-dimethyl-3,4-dihydro-2H-1-benzogermin-6-yl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 168743639
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole (CID 162776703) is 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole is CC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?
The InChIKey is VLJUQTOHWYKCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2O/c1-23(2)27-14-10-15-28(24(3)4)35(27)39-33-19-9-8-18-32(33)38-37(39)31-17-11-16-30-29-21-20-26(22-34(29)40-36(30)31)25-12-6-5-7-13-25/h5-24H,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole has a molecular weight of 520.68 g/mol, XLogP of 10.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole is sourced from PubChem (CID 162776703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).