10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)

C38H20N4OPtS — CID 140954978

IUPAC10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C38H20N4OS.Pt/c1-3-9-31-26(7-1)25-14-12-23(21-30(25)38-40-19-20-41(31)38)43-24-13-15-27-28-16-17-34-36(29-8-2-4-10-33(29)44-34)37(28)42(32(27)22-24)35-11-5-6-18-39-35;/h1-20H;/q-2;+2
InChIKeyNSOGETQGYYGWLL-UHFFFAOYSA-N
MW775.75 g/mol
LogP9.89
Rot. Bonds3

About 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)

10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) (PubChem CID 140954978) has the molecular formula C38H20N4OPtS and a molecular weight of 775.75 g/mol. Its IUPAC name is 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+).

Molecular Properties

Compound Name10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
PubChem CID140954978
Molecular FormulaC38H20N4OPtS
Molecular Weight775.75 g/mol
Exact Mass775.10
IUPAC Name10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C38H20N4OS.Pt/c1-3-9-31-26(7-1)25-14-12-23(21-30(25)38-40-19-20-41(31)38)43-24-13-15-27-28-16-17-34-36(29-8-2-4-10-33(29)44-34)37(28)42(32(27)22-24)35-11-5-6-18-39-35;/h1-20H;/q-2;+2
InChIKeyNSOGETQGYYGWLL-UHFFFAOYSA-N
XLogP9.89
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.75
LogP ≤ 59.89
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 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) with MolForge

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Related Compounds

10-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 140951580
11-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-8,8-dimethyl-13-pyridin-2-yl-[1]benzothiolo[2,3-c]acridine
CID 140952478
20-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-9-thia-18,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 140952981
9-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7-pyridin-2-yl-[1]benzothiolo[2,3-b]carbazole
CID 140954368
21-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-dimethyl-9-thia-19,21-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 140954586
10-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140955432
9-[2-(3-Quinolin-5-ylimidazo[4,5-b]pyridin-2-yl)thieno[3,2-b]thiophen-5-yl]carbazole
CID 10120028
CID 59358689
CID 59358689
CID 59359329
CID 59359329
10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59359414
5-(4-Imidazo[1,2-a]pyridin-2-ylphenyl)-[1]benzothiolo[3,2-c]carbazole
CID 68009698
7-(4-Imidazo[1,2-a]pyridin-2-ylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 68009719

Frequently Asked Questions

What is the IUPAC name of 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?
The IUPAC name of 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) (CID 140954978) is 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+).
What is the SMILES notation for 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?
The canonical SMILES for 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc4sc5ccccc5c4c2n3-c2ccccn2)ccc2c1c1nccn1c1ccccc21.
What is the InChIKey of 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?
The InChIKey is NSOGETQGYYGWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N4OS.Pt/c1-3-9-31-26(7-1)25-14-12-23(21-30(25)38-40-19-20-41(31)38)43-24-13-15-27-28-16-17-34-36(29-8-2-4-10-33(29)44-34)37(28)42(32(27)22-24)35-11-5-6-18-39-35;/h1-20H;/q-2;+2.
What are the key properties of 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+)?
10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) has a molecular weight of 775.75 g/mol, XLogP of 9.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12-pyridin-2-yl-11H-[1]benzothiolo[3,2-a]carbazol-11-ide;platinum(2+) is sourced from PubChem (CID 140954978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).