1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole

C35H36N2 — CID 160504964

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc2c(c1)-c1cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)ccc1C2(C)C([2H])([2H])[2H]
InChIInChI=1S/C35H36N2/c1-21(2)25-11-10-12-26(22(3)4)33(25)37-32-14-9-8-13-31(32)36-34(37)24-16-18-30-28(20-24)27-19-23(5)15-17-29(27)35(30,6)7/h8-22H,1-7H3/i5D3,6D3
InChIKeyACULRMSERDDBRP-SCPKHUGHSA-N
MW490.72 g/mol
LogP9.55
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole

1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole (PubChem CID 160504964) has the molecular formula C35H36N2 and a molecular weight of 490.72 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole
PubChem CID160504964
Molecular FormulaC35H36N2
Molecular Weight490.72 g/mol
Exact Mass490.33
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole
SMILES[2H]C([2H])([2H])c1ccc2c(c1)-c1cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)ccc1C2(C)C([2H])([2H])[2H]
InChIInChI=1S/C35H36N2/c1-21(2)25-11-10-12-26(22(3)4)33(25)37-32-14-9-8-13-31(32)36-34(37)24-16-18-30-28(20-24)27-19-23(5)15-17-29(27)35(30,6)7/h8-22H,1-7H3/i5D3,6D3
InChIKeyACULRMSERDDBRP-SCPKHUGHSA-N
XLogP9.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.72
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-(5,8,9,9-tetramethylfluoren-3-yl)benzimidazole
CID 156658589
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
2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 156656991
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-6-phenyl-2-[4-(trideuteriomethyl)phenyl]benzimidazole
CID 166564122
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]sulfanylphenyl]benzimidazole
CID 140593650
1-[2,6-bis(2-deuteriopropan-2-yl)phenyl]-2-phenylbenzimidazole
CID 166043849
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
6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 129021034
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
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-(4-fluoro-2-methylphenyl)benzimidazole
CID 170293664

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole (CID 160504964) is 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole is [2H]C([2H])([2H])c1ccc2c(c1)-c1cc(-c3nc4ccccc4n3-c3c(C(C)C)cccc3C(C)C)ccc1C2(C)C([2H])([2H])[2H].
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole?
The InChIKey is ACULRMSERDDBRP-SCPKHUGHSA-N. The full InChI is InChI=1S/C35H36N2/c1-21(2)25-11-10-12-26(22(3)4)33(25)37-32-14-9-8-13-31(32)36-34(37)24-16-18-30-28(20-24)27-19-23(5)15-17-29(27)35(30,6)7/h8-22H,1-7H3/i5D3,6D3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole has a molecular weight of 490.72 g/mol, XLogP of 9.55, 6 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-[9-methyl-6,9-bis(trideuteriomethyl)fluoren-3-yl]benzimidazole is sourced from PubChem (CID 160504964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).