3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)

C42H24N6OPt — CID 153411601

IUPAC3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccncc2n3-c2ccccn2)ccc2c1c1nnc(-c3ccccc3-c3ccccc3)n1c1ccccc21
InChIInChI=1S/C42H24N6O.Pt/c1-2-10-27(11-3-1)30-12-4-5-14-35(30)41-45-46-42-36-24-28(17-19-31(36)32-13-6-7-15-37(32)48(41)42)49-29-18-20-33-34-21-23-43-26-39(34)47(38(33)25-29)40-16-8-9-22-44-40;/h1-23,26H;/q-2;+2
InChIKeyFRHPMRPHVRTLFO-UHFFFAOYSA-N
MW823.77 g/mol
LogP9.65
Rot. Bonds5

About 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)

3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 153411601) has the molecular formula C42H24N6OPt and a molecular weight of 823.77 g/mol. Its IUPAC name is 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

Compound Name3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
PubChem CID153411601
Molecular FormulaC42H24N6OPt
Molecular Weight823.77 g/mol
Exact Mass823.17
IUPAC Name3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccncc2n3-c2ccccn2)ccc2c1c1nnc(-c3ccccc3-c3ccccc3)n1c1ccccc21
InChIInChI=1S/C42H24N6O.Pt/c1-2-10-27(11-3-1)30-12-4-5-14-35(30)41-45-46-42-36-24-28(17-19-31(36)32-13-6-7-15-37(32)48(41)42)49-29-18-20-33-34-21-23-43-26-39(34)47(38(33)25-29)40-16-8-9-22-44-40;/h1-23,26H;/q-2;+2
InChIKeyFRHPMRPHVRTLFO-UHFFFAOYSA-N
XLogP9.65
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.77
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) with MolForge

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Related Compounds

CID 154610877
CID 154610877
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 170672584
CID 170672584
platinum(2+);3,5,7-tris(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 154611558
CID 162487067
CID 162487067
8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610895
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
2-[3-[(3-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
CID 153421938
2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 171610714
CID 171436271
CID 171436271
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
CID 154611166
CID 154611166

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
The IUPAC name of 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) (CID 153411601) is 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+).
What is the SMILES notation for 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
The canonical SMILES for 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccncc2n3-c2ccccn2)ccc2c1c1nnc(-c3ccccc3-c3ccccc3)n1c1ccccc21.
What is the InChIKey of 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
The InChIKey is FRHPMRPHVRTLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6O.Pt/c1-2-10-27(11-3-1)30-12-4-5-14-35(30)41-45-46-42-36-24-28(17-19-31(36)32-13-6-7-15-37(32)48(41)42)49-29-18-20-33-34-21-23-43-26-39(34)47(38(33)25-29)40-16-8-9-22-44-40;/h1-23,26H;/q-2;+2.
What are the key properties of 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+)?
3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 823.77 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenyl)-11-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 153411601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).