CID 164734292

C38H22N4OPt — CID 164734292

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1-n1nccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C38H22N4O.Pt/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)35-20-22-40-42(35)37-24-26(16-18-32(29)37)43-25-17-19-33-31-13-5-6-14-34(31)41(36(33)23-25)38-15-7-8-21-39-38;/h1-22H;/q-2;+2
InChIKeyHETUBGFZAIWMKC-UHFFFAOYSA-N
MW745.70 g/mol
LogP9.07
Rot. Bonds3

About CID 164734292

CID 164734292 (PubChem CID 164734292) has the molecular formula C38H22N4OPt and a molecular weight of 745.70 g/mol.

Molecular Properties

Compound NameCID 164734292
PubChem CID164734292
Molecular FormulaC38H22N4OPt
Molecular Weight745.70 g/mol
Exact Mass745.14
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1-n1nccc1-c1ccccc1-c1ccccc1-2
InChIInChI=1S/C38H22N4O.Pt/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)35-20-22-40-42(35)37-24-26(16-18-32(29)37)43-25-17-19-33-31-13-5-6-14-34(31)41(36(33)23-25)38-15-7-8-21-39-38;/h1-22H;/q-2;+2
InChIKeyHETUBGFZAIWMKC-UHFFFAOYSA-N
XLogP9.07
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.70
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 164734292 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164734181
CID 164734181
platinum(2+);5-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]-4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 168810845
2-[[9-(1-methanidylpyridin-1-ium-2-yl)-1H-carbazol-1-id-2-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 164761033
2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 164737867
2-[3-(5,6-dimethylindazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 155606560
2-[3-(3-methylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 168798816
2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411698
CID 155616746
CID 155616746
2-[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421938
platinum(2+);1'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[6,7,8,9-tetrahydrobenzo[b][1]benzogermole-5,4'-[1]benzogermolo[2,3-d]pyrazole]
CID 164702665
CID 153429014
CID 153429014
8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
CID 153411656

Frequently Asked Questions

What is the IUPAC name of CID 164734292?
The IUPAC name of CID 164734292 (CID 164734292) is not available.
What is the SMILES notation for CID 164734292?
The canonical SMILES for CID 164734292 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1-n1nccc1-c1ccccc1-c1ccccc1-2.
What is the InChIKey of CID 164734292?
The InChIKey is HETUBGFZAIWMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O.Pt/c1-2-11-29-27(9-1)28-10-3-4-12-30(28)35-20-22-40-42(35)37-24-26(16-18-32(29)37)43-25-17-19-33-31-13-5-6-14-34(31)41(36(33)23-25)38-15-7-8-21-39-38;/h1-22H;/q-2;+2.
What are the key properties of CID 164734292?
CID 164734292 has a molecular weight of 745.70 g/mol, XLogP of 9.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164734292 is sourced from PubChem (CID 164734292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).