CID 164701894

C41H26N2OPt — CID 164701894

IUPAC—
SMILESOc1ccccc1-c1[c-]c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc3c3ccccc3c3ccccc32)ccc1.[Pt+2]
InChIInChI=1S/C41H26N2O.Pt/c44-41-22-8-6-14-31(41)28-12-11-13-30(26-28)43-39-21-7-5-19-36(39)34-17-3-1-15-32(34)33-16-2-4-18-35(33)37-24-23-29(27-40(37)43)38-20-9-10-25-42-38;/h1-25,44H;/q-2;+2
InChIKeyKOSGZXDEIPQYGB-UHFFFAOYSA-N
MW757.75 g/mol
LogP10.25
Rot. Bonds3

About CID 164701894

CID 164701894 (PubChem CID 164701894) has the molecular formula C41H26N2OPt and a molecular weight of 757.75 g/mol.

Molecular Properties

Compound NameCID 164701894
PubChem CID164701894
Molecular FormulaC41H26N2OPt
Molecular Weight757.75 g/mol
Exact Mass757.17
IUPAC Name—
SMILESOc1ccccc1-c1[c-]c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc3c3ccccc3c3ccccc32)ccc1.[Pt+2]
InChIInChI=1S/C41H26N2O.Pt/c44-41-22-8-6-14-31(41)28-12-11-13-30(26-28)43-39-21-7-5-19-36(39)34-17-3-1-15-32(34)33-16-2-4-18-35(33)37-24-23-29(27-40(37)43)38-20-9-10-25-42-38;/h1-25,44H;/q-2;+2
InChIKeyKOSGZXDEIPQYGB-UHFFFAOYSA-N
XLogP10.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.75
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 164701917
CID 164701917
platinum;2-[9-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]phenol
CID 164823524
2-(1-methyl-6-pyrazol-1-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153285204
5-(1-methylimidazol-2-yl)-2-[9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
CID 153285407
2-[4-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;bis(platinum(2+))
CID 159876604
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
CID 153285159
2-(1-methylbenzimidazol-2-yl)-5-pyridin-4-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-6-pyridin-4-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-7-pyridin-4-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;tris(platinum(2+))
CID 158193656
2-[8-(4-phenylphenyl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzothiazole;platinum(2+)
CID 153285077
2-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]phenol;platinum
CID 164823645
5-carbazol-9-yl-2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-1,3-thiazole;5-carbazol-9-yl-2-[9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;5-carbazol-9-yl-2-[9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;5-carbazol-9-yl-2-[3-(2-pyridin-2-yloxy-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]-1,3-thiazole;tetrakis(platinum(2+))
CID 158191012
2-(1-methylbenzimidazol-2-yl)-9-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153285522
2-(1-methylbenzimidazol-2-yl)-9-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153285067

Frequently Asked Questions

What is the IUPAC name of CID 164701894?
The IUPAC name of CID 164701894 (CID 164701894) is not available.
What is the SMILES notation for CID 164701894?
The canonical SMILES for CID 164701894 is Oc1ccccc1-c1[c-]c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc3c3ccccc3c3ccccc32)ccc1.[Pt+2].
What is the InChIKey of CID 164701894?
The InChIKey is KOSGZXDEIPQYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O.Pt/c44-41-22-8-6-14-31(41)28-12-11-13-30(26-28)43-39-21-7-5-19-36(39)34-17-3-1-15-32(34)33-16-2-4-18-35(33)37-24-23-29(27-40(37)43)38-20-9-10-25-42-38;/h1-25,44H;/q-2;+2.
What are the key properties of CID 164701894?
CID 164701894 has a molecular weight of 757.75 g/mol, XLogP of 10.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164701894 is sourced from PubChem (CID 164701894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).