CID 164703660

C39H24N4OPt — CID 164703660

IUPAC—
SMILES[Pt+4].[c-]1c2cccc1N1[CH-]N(c3ccccc31)C1(c3ccccc3-c3ccccc31)N1[CH-]N(c3[c-]c(ccc3)O2)c2ccccc21
InChIInChI=1S/C39H24N4O.Pt/c1-3-17-33-31(15-1)32-16-2-4-18-34(32)39(33)42-25-40(35-19-5-7-21-37(35)42)27-11-9-13-29(23-27)44-30-14-10-12-28(24-30)41-26-43(39)38-22-8-6-20-36(38)41;/h1-22,25-26H;/q-4;+4
InChIKeyGMDXRQARDWKZAP-UHFFFAOYSA-N
MW759.73 g/mol
LogP9.13
Rot. Bonds

About CID 164703660

CID 164703660 (PubChem CID 164703660) has the molecular formula C39H24N4OPt and a molecular weight of 759.73 g/mol.

Molecular Properties

Compound NameCID 164703660
PubChem CID164703660
Molecular FormulaC39H24N4OPt
Molecular Weight759.73 g/mol
Exact Mass759.16
IUPAC Name—
SMILES[Pt+4].[c-]1c2cccc1N1[CH-]N(c3ccccc31)C1(c3ccccc3-c3ccccc31)N1[CH-]N(c3[c-]c(ccc3)O2)c2ccccc21
InChIInChI=1S/C39H24N4O.Pt/c1-3-17-33-31(15-1)32-16-2-4-18-34(32)39(33)42-25-40(35-19-5-7-21-37(35)42)27-11-9-13-29(23-27)44-30-14-10-12-28(24-30)41-26-43(39)38-22-8-6-20-36(38)41;/h1-22,25-26H;/q-4;+4
InChIKeyGMDXRQARDWKZAP-UHFFFAOYSA-N
XLogP9.13
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.73
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 164703658
CID 164703658
1-methyl-3-[3-[9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)
CID 156666861
1-(2,6-diphenylphenyl)-3-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 177105798
CID 164703659
CID 164703659
chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide
CID 58544736
1,3-bis(9-ethylfluoren-9-yl)-2H-benzimidazol-2-ide
CID 122402288
1-(2,6-dipyridin-3-ylphenyl)-3-[3-[3-(2,6-dipyridin-3-ylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 177105777
7-methyl-9-[3-[9-[3-(7-methyl-8H-purin-8-id-9-yl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-8H-purin-8-ide;platinum(4+)
CID 171730424
1-(4-tert-butyl-2,6-diphenylphenyl)-3-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 177105808
1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)
CID 169066005
carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium
CID 161458362
CID 153495418
CID 153495418

Frequently Asked Questions

What is the IUPAC name of CID 164703660?
The IUPAC name of CID 164703660 (CID 164703660) is not available.
What is the SMILES notation for CID 164703660?
The canonical SMILES for CID 164703660 is [Pt+4].[c-]1c2cccc1N1[CH-]N(c3ccccc31)C1(c3ccccc3-c3ccccc31)N1[CH-]N(c3[c-]c(ccc3)O2)c2ccccc21.
What is the InChIKey of CID 164703660?
The InChIKey is GMDXRQARDWKZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O.Pt/c1-3-17-33-31(15-1)32-16-2-4-18-34(32)39(33)42-25-40(35-19-5-7-21-37(35)42)27-11-9-13-29(23-27)44-30-14-10-12-28(24-30)41-26-43(39)38-22-8-6-20-36(38)41;/h1-22,25-26H;/q-4;+4.
What are the key properties of CID 164703660?
CID 164703660 has a molecular weight of 759.73 g/mol, XLogP of 9.13, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164703660 is sourced from PubChem (CID 164703660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).