tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)

C223H237Au5N29-10 — CID 158715237

IUPACtris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ncccc21.[Au].[Au].[Au].[Au].[Au].c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2c(-c3nc4c(ccc5ccccc54)[n-]3)nccc2c1.c1ccc2c(-c3nc4c(ccc5ccccc54)[n-]3)nccc2c1
InChIInChI=1S/3C31H39N2.C30H38N3.C27H37N2.2C20H12N3.3C11H7N4.5Au/c3*1-20(2)24-13-11-14-25(21(3)4)30(24)32-19-33(29-18-10-9-17-28(29)32)31-26(22(5)6)15-12-16-27(31)23(7)8;1-19(2)23-12-9-13-24(20(3)4)28(23)32-18-33(30-27(32)16-11-17-31-30)29-25(21(5)6)14-10-15-26(29)22(7)8;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-3-7-15-13(5-1)9-10-17-18(15)23-20(22-17)19-16-8-4-2-6-14(16)11-12-21-19;3*1-2-4-9-8(3-1)14-11(15-9)10-7-12-5-6-13-10;;;;;/h3*9-23H,1-8H3;9-22H,1-8H3;9-21H,1-8H3;2*1-12H;3*1-7H;;;;;/q10*-1;;;;;
InChIKeyAFQQDYMEJFIZGS-UHFFFAOYSA-N
MW4308.39 g/mol
LogP59.90
Rot. Bonds35

About tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)

tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide) (PubChem CID 158715237) has the molecular formula C223H237Au5N29-10 and a molecular weight of 4308.39 g/mol. Its IUPAC name is tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide).

Molecular Properties

Compound Nametris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)
PubChem CID158715237
Molecular FormulaC223H237Au5N29-10
Molecular Weight4308.39 g/mol
Exact Mass4305.78
IUPAC Nametris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ncccc21.[Au].[Au].[Au].[Au].[Au].c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2c(-c3nc4c(ccc5ccccc54)[n-]3)nccc2c1.c1ccc2c(-c3nc4c(ccc5ccccc54)[n-]3)nccc2c1
InChIInChI=1S/3C31H39N2.C30H38N3.C27H37N2.2C20H12N3.3C11H7N4.5Au/c3*1-20(2)24-13-11-14-25(21(3)4)30(24)32-19-33(29-18-10-9-17-28(29)32)31-26(22(5)6)15-12-16-27(31)23(7)8;1-19(2)23-12-9-13-24(20(3)4)28(23)32-18-33(30-27(32)16-11-17-31-30)29-25(21(5)6)14-10-15-26(29)22(7)8;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-3-7-15-13(5-1)9-10-17-18(15)23-20(22-17)19-16-8-4-2-6-14(16)11-12-21-19;3*1-2-4-9-8(3-1)14-11(15-9)10-7-12-5-6-13-10;;;;;/h3*9-23H,1-8H3;9-22H,1-8H3;9-21H,1-8H3;2*1-12H;3*1-7H;;;;;/q10*-1;;;;;
InChIKeyAFQQDYMEJFIZGS-UHFFFAOYSA-N
XLogP59.90
TPSA283.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004308.39
LogP ≤ 559.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide) with MolForge

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Related Compounds

1-(benzimidazol-1-id-2-yl)isoquinoline;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;gold
CID 153288659
copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;2-pyridin-2-ylbenzo[e]benzimidazol-3-ide
CID 153288674
copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide
CID 153288650
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;methanidyl(trimethyl)silane
CID 138962595
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium);methane;octakis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-phenylisoquinoline)
CID 161395036
1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
CID 155650562
2-(4-isoquinolin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 118885832
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;copper(1+);[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 162415207
sodium;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);carbazol-9-ide;chlorogold;9H-fluorene;gold;2-methylpropan-2-olate
CID 162273315
CID 159683624
CID 159683624
copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;phenylazanide
CID 177476772
N-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenyl]-3-isoquinolin-1-yl-N-phenylaniline
CID 70654675

Frequently Asked Questions

What is the IUPAC name of tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)?
The IUPAC name of tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide) (CID 158715237) is tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide).
What is the SMILES notation for tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)?
The canonical SMILES for tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide) is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ncccc21.[Au].[Au].[Au].[Au].[Au].c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2[n-]c(-c3cnccn3)nc2c1.c1ccc2c(-c3nc4c(ccc5ccccc54)[n-]3)nccc2c1.c1ccc2c(-c3nc4c(ccc5ccccc54)[n-]3)nccc2c1.
What is the InChIKey of tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)?
The InChIKey is AFQQDYMEJFIZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H39N2.C30H38N3.C27H37N2.2C20H12N3.3C11H7N4.5Au/c3*1-20(2)24-13-11-14-25(21(3)4)30(24)32-19-33(29-18-10-9-17-28(29)32)31-26(22(5)6)15-12-16-27(31)23(7)8;1-19(2)23-12-9-13-24(20(3)4)28(23)32-18-33(30-27(32)16-11-17-31-30)29-25(21(5)6)14-10-15-26(29)22(7)8;1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-3-7-15-13(5-1)9-10-17-18(15)23-20(22-17)19-16-8-4-2-6-14(16)11-12-21-19;3*1-2-4-9-8(3-1)14-11(15-9)10-7-12-5-6-13-10;;;;;/h3*9-23H,1-8H3;9-22H,1-8H3;9-21H,1-8H3;2*1-12H;3*1-7H;;;;;/q10*-1;;;;;.
What are the key properties of tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)?
tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide) has a molecular weight of 4308.39 g/mol, XLogP of 59.90, 35 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide) is sourced from PubChem (CID 158715237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).