2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole

C52H36N4Si — CID 155647150

IUPAC2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole
SMILESC1=Cc2c(-c3nc4ccccc4n3-c3ccccc3)cccc2[Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C52H36N4Si/c1-5-19-37(20-6-1)55-47-31-15-13-29-45(47)53-51(55)43-27-17-33-49-41(43)35-36-42-44(52-54-46-30-14-16-32-48(46)56(52)38-21-7-2-8-22-38)28-18-34-50(42)57(49,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-36H
InChIKeyHQHWKLSJXUDIGX-UHFFFAOYSA-N
MW744.97 g/mol
LogP9.56
Rot. Bonds6

About 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole

2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole (PubChem CID 155647150) has the molecular formula C52H36N4Si and a molecular weight of 744.97 g/mol. Its IUPAC name is 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole
PubChem CID155647150
Molecular FormulaC52H36N4Si
Molecular Weight744.97 g/mol
Exact Mass744.27
IUPAC Name2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole
SMILESC1=Cc2c(-c3nc4ccccc4n3-c3ccccc3)cccc2[Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc4ccccc4n3-c3ccccc3)c21
InChIInChI=1S/C52H36N4Si/c1-5-19-37(20-6-1)55-47-31-15-13-29-45(47)53-51(55)43-27-17-33-49-41(43)35-36-42-44(52-54-46-30-14-16-32-48(46)56(52)38-21-7-2-8-22-38)28-18-34-50(42)57(49,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-36H
InChIKeyHQHWKLSJXUDIGX-UHFFFAOYSA-N
XLogP9.56
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.97
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
CID 129164240
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640
8,8'-spirobi[15,22-diaza-8-silapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9,11,13,16,18,20-decaene]
CID 162503288
1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
CID 122363283
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367

Frequently Asked Questions

What is the IUPAC name of 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole (CID 155647150) is 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole is C1=Cc2c(-c3nc4ccccc4n3-c3ccccc3)cccc2[Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc4ccccc4n3-c3ccccc3)c21.
What is the InChIKey of 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole?
The InChIKey is HQHWKLSJXUDIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4Si/c1-5-19-37(20-6-1)55-47-31-15-13-29-45(47)53-51(55)43-27-17-33-49-41(43)35-36-42-44(52-54-46-30-14-16-32-48(46)56(52)38-21-7-2-8-22-38)28-18-34-50(42)57(49,39-23-9-3-10-24-39)40-25-11-4-12-26-40/h1-36H.
What are the key properties of 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole?
2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole has a molecular weight of 744.97 g/mol, XLogP of 9.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11,11-diphenyl-4-(1-phenylbenzimidazol-2-yl)benzo[b][1]benzosilepin-7-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 155647150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).