1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole

C36H38N2 — CID 156658589

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole
SMILESCc1ccc(C)c2c1-c1cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)ccc1C2(C)C
InChIInChI=1S/C36H38N2/c1-21(2)26-12-11-13-27(22(3)4)34(26)38-31-15-10-9-14-30(31)37-35(38)25-18-19-29-28(20-25)32-23(5)16-17-24(6)33(32)36(29,7)8/h9-22H,1-8H3
InChIKeyVDYNGGWYZMQXEZ-UHFFFAOYSA-N
MW498.71 g/mol
LogP9.86
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole

1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole (PubChem CID 156658589) has the molecular formula C36H38N2 and a molecular weight of 498.71 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole
PubChem CID156658589
Molecular FormulaC36H38N2
Molecular Weight498.71 g/mol
Exact Mass498.30
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole
SMILESCc1ccc(C)c2c1-c1cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)ccc1C2(C)C
InChIInChI=1S/C36H38N2/c1-21(2)26-12-11-13-27(22(3)4)34(26)38-31-15-10-9-14-30(31)37-35(38)25-18-19-29-28(20-25)32-23(5)16-17-24(6)33(32)36(29,7)8/h9-22H,1-8H3
InChIKeyVDYNGGWYZMQXEZ-UHFFFAOYSA-N
XLogP9.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole
CID 160504964
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-diphenylmethyl]phenyl]benzimidazole
CID 140593746
3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzonitrile
CID 169301226
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
1-[2,6-di(propan-2-yl)phenyl]-2-(4-fluoro-2-methylphenyl)benzimidazole
CID 170293664
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]benzimidazole
CID 140593656
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]methyl]phenyl]benzimidazole
CID 158295187
N-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-N-methylaniline
CID 140593461
1-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-(1,1,1,2,3,3-hexadeuteriopropan-2-yl)phenyl]-2-[3-phenyl-4-(trideuteriomethyl)phenyl]benzimidazole
CID 167338968
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021034

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole (CID 156658589) is 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole is Cc1ccc(C)c2c1-c1cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)ccc1C2(C)C.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole?
The InChIKey is VDYNGGWYZMQXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2/c1-21(2)26-12-11-13-27(22(3)4)34(26)38-31-15-10-9-14-30(31)37-35(38)25-18-19-29-28(20-25)32-23(5)16-17-24(6)33(32)36(29,7)8/h9-22H,1-8H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole has a molecular weight of 498.71 g/mol, XLogP of 9.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole is sourced from PubChem (CID 156658589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).