platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C36H19N5PtS2 — CID 140729391

IUPACplatinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILES[Pt+2].[c-]1c(-n2ncc3sc4ccsc4c32)cccc1-n1c2[c-]c3c(cc2c2ccccc21)c1ccccc1n3-c1ccccn1
InChIInChI=1S/C36H19N5S2.Pt/c1-3-12-28-24(10-1)26-19-27-25-11-2-4-13-29(25)40(34-14-5-6-16-37-34)31(27)20-30(26)39(28)22-8-7-9-23(18-22)41-35-33(21-38-41)43-32-15-17-42-36(32)35;/h1-17,19,21H;/q-2;+2
InChIKeyIBTNLHPQWXZFFK-UHFFFAOYSA-N
MW780.80 g/mol
LogP9.49
Rot. Bonds3

About platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 140729391) has the molecular formula C36H19N5PtS2 and a molecular weight of 780.80 g/mol. Its IUPAC name is platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Nameplatinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID140729391
Molecular FormulaC36H19N5PtS2
Molecular Weight780.80 g/mol
Exact Mass780.07
IUPAC Nameplatinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILES[Pt+2].[c-]1c(-n2ncc3sc4ccsc4c32)cccc1-n1c2[c-]c3c(cc2c2ccccc21)c1ccccc1n3-c1ccccn1
InChIInChI=1S/C36H19N5S2.Pt/c1-3-12-28-24(10-1)26-19-27-25-11-2-4-13-29(25)40(34-14-5-6-16-37-34)31(27)20-30(26)39(28)22-8-7-9-23(18-22)41-35-33(21-38-41)43-32-15-17-42-36(32)35;/h1-17,19,21H;/q-2;+2
InChIKeyIBTNLHPQWXZFFK-UHFFFAOYSA-N
XLogP9.49
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.80
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene with MolForge

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Related Compounds

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6-[(2-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3,4]thiadiazole;6-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
CID 66669105
6-Pyridin-4-yl-5-[8-(6-pyridin-4-ylindolo[2,3-b]indol-5-yl)dibenzothiophen-2-yl]indolo[2,3-b]indole
CID 89692702
19-(4-Phenyl-6-pyridin-4-ylpyrimidin-2-yl)-9,11-dithia-19-azapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
CID 117984122
6-N,6-N,15-N,15-N-tetraphenyl-9,18-dipyridin-2-yl-5,14-dithia-9,18-diazapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6,15-diamine
CID 118135763
17-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-thia-8,9,17-triazapentacyclo[12.2.1.04,16.05,9.010,15]heptadeca-1,4(16),5,7,10(15),11,13-heptaene
CID 118204806
17-(4,6-Diphenylpyrimidin-2-yl)-3-thia-8,9,17-triazapentacyclo[12.2.1.04,16.05,9.010,15]heptadeca-1,4(16),5,7,10(15),11,13-heptaene
CID 118204948

Frequently Asked Questions

What is the IUPAC name of platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 140729391) is platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is [Pt+2].[c-]1c(-n2ncc3sc4ccsc4c32)cccc1-n1c2[c-]c3c(cc2c2ccccc21)c1ccccc1n3-c1ccccn1.
What is the InChIKey of platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is IBTNLHPQWXZFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H19N5S2.Pt/c1-3-12-28-24(10-1)26-19-27-25-11-2-4-13-29(25)40(34-14-5-6-16-37-34)31(27)20-30(26)39(28)22-8-7-9-23(18-22)41-35-33(21-38-41)43-32-15-17-42-36(32)35;/h1-17,19,21H;/q-2;+2.
What are the key properties of platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 780.80 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);3-[3-(5-pyridin-2-yl-6H-indolo[2,3-b]carbazol-6-id-7-yl)benzene-2-id-1-yl]-7,11-dithia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 140729391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).