6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile

C41H38FGeN3O — CID 176720661

IUPAC6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile
SMILESCC(C)c1cc(-c2ccc([Ge](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(C#N)cc(F)c23)nc2ccccc21
InChIInChI=1S/C41H38FGeN3O/c1-24(2)32-21-28(27-15-17-29(18-16-27)43(5,6)7)22-33(25(3)4)39(32)46-36-14-9-8-13-35(36)45-41(46)31-12-10-11-30-38-34(42)19-26(23-44)20-37(38)47-40(30)31/h8-22,24-25H,1-7H3
InChIKeyNKHARAIXURRBQU-UHFFFAOYSA-N
MW680.38 g/mol
LogP11.06
Rot. Bonds6

About 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile

6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile (PubChem CID 176720661) has the molecular formula C41H38FGeN3O and a molecular weight of 680.38 g/mol. Its IUPAC name is 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile
PubChem CID176720661
Molecular FormulaC41H38FGeN3O
Molecular Weight680.38 g/mol
Exact Mass681.22
IUPAC Name6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile
SMILESCC(C)c1cc(-c2ccc([Ge](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(C#N)cc(F)c23)nc2ccccc21
InChIInChI=1S/C41H38FGeN3O/c1-24(2)32-21-28(27-15-17-29(18-16-27)43(5,6)7)22-33(25(3)4)39(32)46-36-14-9-8-13-35(36)45-41(46)31-12-10-11-30-38-34(42)19-26(23-44)20-37(38)47-40(30)31/h8-22,24-25H,1-7H3
InChIKeyNKHARAIXURRBQU-UHFFFAOYSA-N
XLogP11.06
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.38
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]benzonitrile
CID 171461592
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
5-tert-butyl-2-(4-fluoro-2-methanidylphenyl)-1-methanidylpyridin-1-ium;6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluoro-7H-dibenzofuran-7-ide-3-carbonitrile;iridium(3+)
CID 176720707
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
[4-(2-dibenzofuran-4-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-trimethylgermane
CID 170931400
4-[8-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridin-2-yl]benzonitrile
CID 171051825
1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 167388071
2-[9-methyl-7-(trideuteriomethyl)dibenzofuran-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 159199965
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271
2-(1-fluoro-7-phenyldibenzofuran-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 169299441
6-[1-[4-di(propan-2-yl)phosphanyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542795
6-[1-[4-[methyl(diphenyl)silyl]-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-carbonitrile
CID 172542709

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile?
The IUPAC name of 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile (CID 176720661) is 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile.
What is the SMILES notation for 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile?
The canonical SMILES for 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile is CC(C)c1cc(-c2ccc([Ge](C)(C)C)cc2)cc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(C#N)cc(F)c23)nc2ccccc21.
What is the InChIKey of 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile?
The InChIKey is NKHARAIXURRBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38FGeN3O/c1-24(2)32-21-28(27-15-17-29(18-16-27)43(5,6)7)22-33(25(3)4)39(32)46-36-14-9-8-13-35(36)45-41(46)31-12-10-11-30-38-34(42)19-26(23-44)20-37(38)47-40(30)31/h8-22,24-25H,1-7H3.
What are the key properties of 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile?
6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile has a molecular weight of 680.38 g/mol, XLogP of 11.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2,6-di(propan-2-yl)-4-(4-trimethylgermylphenyl)phenyl]benzimidazol-2-yl]-1-fluorodibenzofuran-3-carbonitrile is sourced from PubChem (CID 176720661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).