1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole

C26H36N2 — CID 140790065

IUPAC1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole
SMILESCN1CN(c2ccccc2)c2cc3c(cc21)C(C)(C)C(C)(C)C(C)(C)C3(C)C
InChIInChI=1S/C26H36N2/c1-23(2)19-15-21-22(28(17-27(21)9)18-13-11-10-12-14-18)16-20(19)24(3,4)26(7,8)25(23,5)6/h10-16H,17H2,1-9H3
InChIKeyXOJVKXNEMORHGW-UHFFFAOYSA-N
MW376.59 g/mol
LogP6.85
Rot. Bonds1

About 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole

1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole (PubChem CID 140790065) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole.

Molecular Properties

Compound Name1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole
PubChem CID140790065
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole
SMILESCN1CN(c2ccccc2)c2cc3c(cc21)C(C)(C)C(C)(C)C(C)(C)C3(C)C
InChIInChI=1S/C26H36N2/c1-23(2)19-15-21-22(28(17-27(21)9)18-13-11-10-12-14-18)16-20(19)24(3,4)26(7,8)25(23,5)6/h10-16H,17H2,1-9H3
InChIKeyXOJVKXNEMORHGW-UHFFFAOYSA-N
XLogP6.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
6,6,7,7,8,8,16,16,17,17,18,18-dodecamethyl-2,12-bis(4-phenylphenyl)-2,12-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene
CID 146581550
3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile
CID 153430458
3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate
CID 174642432
5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
9-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-6-yl)carbazole
CID 171052794
1-methyl-3,5-diphenyl-2H-imidazo[4,5-b]pyridine
CID 70665390
[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]methyl-diphenylphosphane
CID 58978612
1-[3-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenoxy]phenyl]-3,5,6-trimethyl-2H-benzimidazole
CID 169065894
ethane;1,3,4,4-tetramethyl-2H-quinazoline
CID 91014765
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 126598362
1-methyl-3-[3-[3-(3,4,5-trimethyl-2H-imidazol-1-yl)phenoxy]phenyl]-2H-benzimidazole
CID 140729745

Frequently Asked Questions

What is the IUPAC name of 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole?
The IUPAC name of 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole (CID 140790065) is 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole.
What is the SMILES notation for 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole?
The canonical SMILES for 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole is CN1CN(c2ccccc2)c2cc3c(cc21)C(C)(C)C(C)(C)C(C)(C)C3(C)C.
What is the InChIKey of 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole?
The InChIKey is XOJVKXNEMORHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-23(2)19-15-21-22(28(17-27(21)9)18-13-11-10-12-14-18)16-20(19)24(3,4)26(7,8)25(23,5)6/h10-16H,17H2,1-9H3.
What are the key properties of 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole?
1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole has a molecular weight of 376.59 g/mol, XLogP of 6.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole is sourced from PubChem (CID 140790065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).