CID 140693830

C34H18N6Pt — CID 140693830

IUPAC—
SMILES[Pt+2].[c-]1ccnc2c1c1nc(-c3ccccc3-c3cn4c5ccccc5c5ncc[c-]c5c4n3)cn1c1ccccc21
InChIInChI=1S/C34H18N6.Pt/c1-2-10-22(28-20-40-30-16-6-4-12-24(30)32-26(34(40)38-28)14-8-18-36-32)21(9-1)27-19-39-29-15-5-3-11-23(29)31-25(33(39)37-27)13-7-17-35-31;/h1-12,15-20H;/q-2;+2
InChIKeyVMJNVIKLKJOVRK-UHFFFAOYSA-N
MW705.64 g/mol
LogP7.32
Rot. Bonds2

About CID 140693830

CID 140693830 (PubChem CID 140693830) has the molecular formula C34H18N6Pt and a molecular weight of 705.64 g/mol.

Molecular Properties

Compound NameCID 140693830
PubChem CID140693830
Molecular FormulaC34H18N6Pt
Molecular Weight705.64 g/mol
Exact Mass705.12
IUPAC Name—
SMILES[Pt+2].[c-]1ccnc2c1c1nc(-c3ccccc3-c3cn4c5ccccc5c5ncc[c-]c5c4n3)cn1c1ccccc21
InChIInChI=1S/C34H18N6.Pt/c1-2-10-22(28-20-40-30-16-6-4-12-24(30)32-26(34(40)38-28)14-8-18-36-32)21(9-1)27-19-39-29-15-5-3-11-23(29)31-25(33(39)37-27)13-7-17-35-31;/h1-12,15-20H;/q-2;+2
InChIKeyVMJNVIKLKJOVRK-UHFFFAOYSA-N
XLogP7.32
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.64
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze CID 140693830 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 58162444
CID 58162444
carbanide;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);yttrium
CID 58162733
carbanide;iridium;2-methoxy-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162772
4-[2-(2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaen-4-yl)ethyl]-2,5,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
CID 58202861
CID 164703851
CID 164703851
CID 164704200
CID 164704200
2-benzo[d][1,3,2]benzodioxaphosphepin-6-ium-6-yloxy-12H-imidazo[1,2-f]phenanthridin-12-ide;osmium(1+)
CID 140807980
2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358319
iridium(3+);bis(12H-phenanthro[9,10-b]pyridin-12-ide);1,10-phenanthroline;chloride
CID 54741035
CID 164805533
CID 164805533
11-[3-(7-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-2-(2-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 164704190
5-tert-butyl-2-[2-(5-tert-butylimidazo[2,1-a]isoquinolin-2-yl)phenyl]imidazo[2,1-a]isoquinoline
CID 58517561

Frequently Asked Questions

What is the IUPAC name of CID 140693830?
The IUPAC name of CID 140693830 (CID 140693830) is not available.
What is the SMILES notation for CID 140693830?
The canonical SMILES for CID 140693830 is [Pt+2].[c-]1ccnc2c1c1nc(-c3ccccc3-c3cn4c5ccccc5c5ncc[c-]c5c4n3)cn1c1ccccc21.
What is the InChIKey of CID 140693830?
The InChIKey is VMJNVIKLKJOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N6.Pt/c1-2-10-22(28-20-40-30-16-6-4-12-24(30)32-26(34(40)38-28)14-8-18-36-32)21(9-1)27-19-39-29-15-5-3-11-23(29)31-25(33(39)37-27)13-7-17-35-31;/h1-12,15-20H;/q-2;+2.
What are the key properties of CID 140693830?
CID 140693830 has a molecular weight of 705.64 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140693830 is sourced from PubChem (CID 140693830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).