CID 168836195

C34H22N4Pt — CID 168836195

IUPAC—
SMILES[Pt+2].[c-]1c2cccc1N(c1ccccc1-c1ccccc1)c1[c-]c(ccc1)-c1cccc(n1)Nc1cccc-2n1
InChIInChI=1S/C34H22N4.Pt/c1-2-10-24(11-3-1)29-16-4-5-19-32(29)38-27-14-6-12-25(22-27)30-17-8-20-33(35-30)37-34-21-9-18-31(36-34)26-13-7-15-28(38)23-26;/h1-21H,(H,35,36,37);/q-2;+2
InChIKeyBWVXVHNUIWYJKN-UHFFFAOYSA-N
MW681.66 g/mol
LogP8.60
Rot. Bonds2

About CID 168836195

CID 168836195 (PubChem CID 168836195) has the molecular formula C34H22N4Pt and a molecular weight of 681.66 g/mol.

Molecular Properties

Compound NameCID 168836195
PubChem CID168836195
Molecular FormulaC34H22N4Pt
Molecular Weight681.66 g/mol
Exact Mass681.15
IUPAC Name—
SMILES[Pt+2].[c-]1c2cccc1N(c1ccccc1-c1ccccc1)c1[c-]c(ccc1)-c1cccc(n1)Nc1cccc-2n1
InChIInChI=1S/C34H22N4.Pt/c1-2-10-24(11-3-1)29-16-4-5-19-32(29)38-27-14-6-12-25(22-27)30-17-8-20-33(35-30)37-34-21-9-18-31(36-34)26-13-7-15-28(38)23-26;/h1-21H,(H,35,36,37);/q-2;+2
InChIKeyBWVXVHNUIWYJKN-UHFFFAOYSA-N
XLogP8.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.66
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum(2+)
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4-(2-phenylphenyl)-1,2,4-triazole-3,5-dione
CID 125269943
1-(2-phenylphenyl)imidazolidine-2,4,5-trione
CID 43153855
CID 58831030
CID 58831030
2-phenoxy-1-(2-phenylphenyl)-4-(6-phenyl-2-pyridinyl)benzimidazole
CID 164845432
CID 163924477
CID 163924477
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
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
2-[2-(2-phenylphenyl)-6-(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine
CID 141341209
carbanide;hafnium;2-[2-[6-[2-(2-hydroxy-3-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-6-phenylphenol
CID 154622833
2-(3-phenylbenzene-2-id-1-yl)oxy-1-(2-phenylphenyl)-4-pyridin-2-ylbenzimidazole;platinum(2+)
CID 164845418
methane;N-(2-phenylphenyl)-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+)
CID 158290234

Frequently Asked Questions

What is the IUPAC name of CID 168836195?
The IUPAC name of CID 168836195 (CID 168836195) is not available.
What is the SMILES notation for CID 168836195?
The canonical SMILES for CID 168836195 is [Pt+2].[c-]1c2cccc1N(c1ccccc1-c1ccccc1)c1[c-]c(ccc1)-c1cccc(n1)Nc1cccc-2n1.
What is the InChIKey of CID 168836195?
The InChIKey is BWVXVHNUIWYJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4.Pt/c1-2-10-24(11-3-1)29-16-4-5-19-32(29)38-27-14-6-12-25(22-27)30-17-8-20-33(35-30)37-34-21-9-18-31(36-34)26-13-7-15-28(38)23-26;/h1-21H,(H,35,36,37);/q-2;+2.
What are the key properties of CID 168836195?
CID 168836195 has a molecular weight of 681.66 g/mol, XLogP of 8.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168836195 is sourced from PubChem (CID 168836195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).