1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole

C86H78N6 — CID 58059093

IUPAC1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole
SMILESCc1cc(CCc2ccc(C(C)(c3ccc(CCc4ccc(N5CN(c6ccccc6)c6ccccc65)c(C)c4)cc3)c3ccc(CCc4ccc(N5CN(c6ccccc6)c6ccccc65)c(C)c4)cc3)cc2)ccc1N1CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C86H78N6/c1-62-56-68(44-53-77(62)90-59-87(74-20-8-5-9-21-74)80-26-14-17-29-83(80)90)35-32-65-38-47-71(48-39-65)86(4,72-49-40-66(41-50-72)33-36-69-45-54-78(63(2)57-69)91-60-88(75-22-10-6-11-23-75)81-27-15-18-30-84(81)91)73-51-42-67(43-52-73)34-37-70-46-55-79(64(3)58-70)92-61-89(76-24-12-7-13-25-76)82-28-16-19-31-85(82)92/h5-31,38-58H,32-37,59-61H2,1-4H3
InChIKeyOHLWGNGXHVLBIM-UHFFFAOYSA-N
MW1195.61 g/mol
LogP21.06
Rot. Bonds18

About 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole

1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole (PubChem CID 58059093) has the molecular formula C86H78N6 and a molecular weight of 1195.61 g/mol. Its IUPAC name is 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole.

Molecular Properties

Compound Name1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole
PubChem CID58059093
Molecular FormulaC86H78N6
Molecular Weight1195.61 g/mol
Exact Mass1194.63
IUPAC Name1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole
SMILESCc1cc(CCc2ccc(C(C)(c3ccc(CCc4ccc(N5CN(c6ccccc6)c6ccccc65)c(C)c4)cc3)c3ccc(CCc4ccc(N5CN(c6ccccc6)c6ccccc65)c(C)c4)cc3)cc2)ccc1N1CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C86H78N6/c1-62-56-68(44-53-77(62)90-59-87(74-20-8-5-9-21-74)80-26-14-17-29-83(80)90)35-32-65-38-47-71(48-39-65)86(4,72-49-40-66(41-50-72)33-36-69-45-54-78(63(2)57-69)91-60-88(75-22-10-6-11-23-75)81-27-15-18-30-84(81)91)73-51-42-67(43-52-73)34-37-70-46-55-79(64(3)58-70)92-61-89(76-24-12-7-13-25-76)82-28-16-19-31-85(82)92/h5-31,38-58H,32-37,59-61H2,1-4H3
InChIKeyOHLWGNGXHVLBIM-UHFFFAOYSA-N
XLogP21.06
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.61
LogP ≤ 521.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole with MolForge

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Related Compounds

5-tert-butyl-1,3-diphenyl-2H-benzimidazole
CID 155454874
1-[4-[2-[3,5-bis[2-[4-[3-(2,6-dimethylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-5-id-1-yl]ethyl]phenyl]ethyl]benzene-6-id-1-yl]-3-(2,6-dimethylphenyl)-2H-benzimidazol-2-ide;1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-2-id-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazol-2-ide;bis(iridium)
CID 159416754
1-(2-benzylphenyl)-3-phenyl-2H-benzimidazole
CID 58281398
N-[[4-(2,3-dihydroindol-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62121004
3-(2-methylphenyl)-1-phenyl-4-(trifluoromethyl)-2H-benzimidazole
CID 140794361
2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-difluoromethyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]carbazole
CID 163822722
9-(3-phenyl-2H-benzimidazol-1-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 164796027
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
1-[4-(4,5-dimethyl-3-phenyl-2H-imidazol-1-yl)butyl]-3-phenyl-2H-benzimidazole
CID 155622082
1-(4-tert-butylphenyl)-3-[4-[3-(4-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]butyl]-5,6-dimethyl-2H-benzimidazole
CID 165377419
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
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CID 140758604

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole?
The IUPAC name of 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole (CID 58059093) is 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole.
What is the SMILES notation for 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole?
The canonical SMILES for 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole is Cc1cc(CCc2ccc(C(C)(c3ccc(CCc4ccc(N5CN(c6ccccc6)c6ccccc65)c(C)c4)cc3)c3ccc(CCc4ccc(N5CN(c6ccccc6)c6ccccc65)c(C)c4)cc3)cc2)ccc1N1CN(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole?
The InChIKey is OHLWGNGXHVLBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H78N6/c1-62-56-68(44-53-77(62)90-59-87(74-20-8-5-9-21-74)80-26-14-17-29-83(80)90)35-32-65-38-47-71(48-39-65)86(4,72-49-40-66(41-50-72)33-36-69-45-54-78(63(2)57-69)91-60-88(75-22-10-6-11-23-75)81-27-15-18-30-84(81)91)73-51-42-67(43-52-73)34-37-70-46-55-79(64(3)58-70)92-61-89(76-24-12-7-13-25-76)82-28-16-19-31-85(82)92/h5-31,38-58H,32-37,59-61H2,1-4H3.
What are the key properties of 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole?
1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole has a molecular weight of 1195.61 g/mol, XLogP of 21.06, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[1,1-bis[4-[2-[3-methyl-4-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]-2-methylphenyl]-3-phenyl-2H-benzimidazole is sourced from PubChem (CID 58059093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).