carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)

C49H50N8Pt — CID 155650367

IUPACcarbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)
SMILESCc1ncccc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3cccnc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C36H43N6.C13H7N2.Pt/c1-23(2)27-18-31(24(3)4)35(32(19-27)25(5)6)28-16-29(39-21-40(8)33-12-10-14-37-26(33)7)20-30(17-28)42-22-41(9)34-13-11-15-38-36(34)42;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h10-19,21-25,39H,1-9H3;1-7H;/q-3;-1;+4
InChIKeyCCYUYSKFGMHVJH-UHFFFAOYSA-N
MW946.07 g/mol
LogP11.82
Rot. Bonds9

About carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)

carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+) (PubChem CID 155650367) has the molecular formula C49H50N8Pt and a molecular weight of 946.07 g/mol. Its IUPAC name is carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+).

Molecular Properties

Compound Namecarbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)
PubChem CID155650367
Molecular FormulaC49H50N8Pt
Molecular Weight946.07 g/mol
Exact Mass945.38
IUPAC Namecarbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)
SMILESCc1ncccc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3cccnc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C36H43N6.C13H7N2.Pt/c1-23(2)27-18-31(24(3)4)35(32(19-27)25(5)6)28-16-29(39-21-40(8)33-12-10-14-37-26(33)7)20-30(17-28)42-22-41(9)34-13-11-15-38-36(34)42;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h10-19,21-25,39H,1-9H3;1-7H;/q-3;-1;+4
InChIKeyCCYUYSKFGMHVJH-UHFFFAOYSA-N
XLogP11.82
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.07
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)?
The IUPAC name of carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+) (CID 155650367) is carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+).
What is the SMILES notation for carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)?
The canonical SMILES for carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+) is Cc1ncccc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3cccnc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4].
What is the InChIKey of carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)?
The InChIKey is CCYUYSKFGMHVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N6.C13H7N2.Pt/c1-23(2)27-18-31(24(3)4)35(32(19-27)25(5)6)28-16-29(39-21-40(8)33-12-10-14-37-26(33)7)20-30(17-28)42-22-41(9)34-13-11-15-38-36(34)42;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h10-19,21-25,39H,1-9H3;1-7H;/q-3;-1;+4.
What are the key properties of carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+)?
carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+) has a molecular weight of 946.07 g/mol, XLogP of 11.82, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(2-methyl-3-pyridinyl)methanediamine;platinum(4+) is sourced from PubChem (CID 155650367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).