sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole

C67H47FN11Na — CID 161378237

IUPACsodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole
SMILESFc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1.[H-].[Na+].c1ccc(-c2nnc(-c3ccccc3-n3c4ccccc4n4c5ccccc5nc34)n2-c2ccccc2)cc1.c1ccc2c(c1)Cc1nc3ccccc3n1-2
InChIInChI=1S/C33H22N6.C20H14FN3.C14H10N2.Na.H/c1-3-13-23(14-4-1)31-35-36-32(37(31)24-15-5-2-6-16-24)25-17-7-9-19-27(25)38-29-21-11-12-22-30(29)39-28-20-10-8-18-26(28)34-33(38)39;21-18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;;/h1-22H;1-14H;1-8H,9H2;;/q;;;+1;-1
InChIKeyZJEKCBOXEJZZBV-UHFFFAOYSA-N
MW1048.18 g/mol
LogP12.13
Rot. Bonds7

About sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole

sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole (PubChem CID 161378237) has the molecular formula C67H47FN11Na and a molecular weight of 1048.18 g/mol. Its IUPAC name is sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Namesodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole
PubChem CID161378237
Molecular FormulaC67H47FN11Na
Molecular Weight1048.18 g/mol
Exact Mass1047.39
IUPAC Namesodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole
SMILESFc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1.[H-].[Na+].c1ccc(-c2nnc(-c3ccccc3-n3c4ccccc4n4c5ccccc5nc34)n2-c2ccccc2)cc1.c1ccc2c(c1)Cc1nc3ccccc3n1-2
InChIInChI=1S/C33H22N6.C20H14FN3.C14H10N2.Na.H/c1-3-13-23(14-4-1)31-35-36-32(37(31)24-15-5-2-6-16-24)25-17-7-9-19-27(25)38-29-21-11-12-22-30(29)39-28-20-10-8-18-26(28)34-33(38)39;21-18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;;/h1-22H;1-14H;1-8H,9H2;;/q;;;+1;-1
InChIKeyZJEKCBOXEJZZBV-UHFFFAOYSA-N
XLogP12.13
TPSA101.47 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.18
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole?
The IUPAC name of sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole (CID 161378237) is sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole.
What is the SMILES notation for sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole?
The canonical SMILES for sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole is Fc1ccccc1-c1nnc(-c2ccccc2)n1-c1ccccc1.[H-].[Na+].c1ccc(-c2nnc(-c3ccccc3-n3c4ccccc4n4c5ccccc5nc34)n2-c2ccccc2)cc1.c1ccc2c(c1)Cc1nc3ccccc3n1-2.
What is the InChIKey of sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole?
The InChIKey is ZJEKCBOXEJZZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N6.C20H14FN3.C14H10N2.Na.H/c1-3-13-23(14-4-1)31-35-36-32(37(31)24-15-5-2-6-16-24)25-17-7-9-19-27(25)38-29-21-11-12-22-30(29)39-28-20-10-8-18-26(28)34-33(38)39;21-18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;;/h1-22H;1-14H;1-8H,9H2;;/q;;;+1;-1.
What are the key properties of sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole?
sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole has a molecular weight of 1048.18 g/mol, XLogP of 12.13, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-[2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;3-(2-fluorophenyl)-4,5-diphenyl-1,2,4-triazole;hydride;11H-indolo[1,2-a]benzimidazole is sourced from PubChem (CID 161378237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).