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

C91H105Au2ClN5NaO-3 — CID 162273315

IUPACsodium;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
SMILESCC(C)(C)[O-].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.Cl[Au].[Au].[Na+].c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C31H39N2.C13H10.C12H8N.C4H9O.2Au.ClH.Na/c2*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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-4(2,3)5;;;;/h2*9-23H,1-8H3;1-8H,9H2;1-8H;1-3H3;;;1H;/q2*-1;;2*-1;;+1;;+1/p-1
InChIKeyYZMMRCAJXSAVSR-UHFFFAOYSA-M
MW1737.25 g/mol
LogP23.22
Rot. Bonds12

About 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

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 (PubChem CID 162273315) has the molecular formula C91H105Au2ClN5NaO-3 and a molecular weight of 1737.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namesodium;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
PubChem CID162273315
Molecular FormulaC91H105Au2ClN5NaO-3
Molecular Weight1737.25 g/mol
Exact Mass1735.73
IUPAC Namesodium;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
SMILESCC(C)(C)[O-].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.Cl[Au].[Au].[Na+].c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/2C31H39N2.C13H10.C12H8N.C4H9O.2Au.ClH.Na/c2*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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-4(2,3)5;;;;/h2*9-23H,1-8H3;1-8H,9H2;1-8H;1-3H3;;;1H;/q2*-1;;2*-1;;+1;;+1/p-1
InChIKeyYZMMRCAJXSAVSR-UHFFFAOYSA-M
XLogP23.22
TPSA50.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001737.25
LogP ≤ 523.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
23-azanidahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ylium;gold
CID 162771598
1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
CID 159190073
1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene
CID 175089715
azane;hexakis(9H-fluorene)
CID 158472914
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
4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene
CID 159708526
azane;9H-fluorene;hydrobromide
CID 174352852
dicopper;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide);3-carbazol-9-id-3-ylcarbazol-9-ide
CID 155762677
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-5-[2-(2-methylbutan-2-yl)-9H-fluoren-3-yl]-1,2,4-triazole
CID 145333453
1-(4-propan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 22910379

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[O-].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.Cl[Au].[Au].[Na+].c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of 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?
The InChIKey is YZMMRCAJXSAVSR-UHFFFAOYSA-M. The full InChI is InChI=1S/2C31H39N2.C13H10.C12H8N.C4H9O.2Au.ClH.Na/c2*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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-4(2,3)5;;;;/h2*9-23H,1-8H3;1-8H,9H2;1-8H;1-3H3;;;1H;/q2*-1;;2*-1;;+1;;+1/p-1.
What are the key properties of 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?
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 has a molecular weight of 1737.25 g/mol, XLogP of 23.22, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162273315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).