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

C47H48N10Pt — CID 155650545

IUPACcarbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)
SMILESCc1nccnc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3nccnc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C34H41N8.C13H7N2.Pt/c1-21(2)25-16-29(22(3)4)31(30(17-25)23(5)6)26-14-27(39-19-40(8)32-24(7)35-10-11-36-32)18-28(15-26)42-20-41(9)33-34(42)38-13-12-37-33;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h10-17,19-23,39H,1-9H3;1-7H;/q-3;-1;+4
InChIKeyJNQANIIXHHYSDA-UHFFFAOYSA-N
MW948.05 g/mol
LogP10.61
Rot. Bonds9

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

carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+) (PubChem CID 155650545) has the molecular formula C47H48N10Pt and a molecular weight of 948.05 g/mol. Its IUPAC name is carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+).

Molecular Properties

Compound Namecarbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)
PubChem CID155650545
Molecular FormulaC47H48N10Pt
Molecular Weight948.05 g/mol
Exact Mass947.37
IUPAC Namecarbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)
SMILESCc1nccnc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3nccnc32)cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.N#Cc1ccc2[n-]c3ccccc3c2c1.[Pt+4]
InChIInChI=1S/C34H41N8.C13H7N2.Pt/c1-21(2)25-16-29(22(3)4)31(30(17-25)23(5)6)26-14-27(39-19-40(8)32-24(7)35-10-11-36-32)18-28(15-26)42-20-41(9)33-34(42)38-13-12-37-33;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h10-17,19-23,39H,1-9H3;1-7H;/q-3;-1;+4
InChIKeyJNQANIIXHHYSDA-UHFFFAOYSA-N
XLogP10.61
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.05
LogP ≤ 510.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)?
The IUPAC name of carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+) (CID 155650545) is carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)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]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)?
The canonical SMILES for carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+) is Cc1nccnc1N(C)[CH-]Nc1[c-]c(N2[CH-]N(C)c3nccnc32)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]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)?
The InChIKey is JNQANIIXHHYSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N8.C13H7N2.Pt/c1-21(2)25-16-29(22(3)4)31(30(17-25)23(5)6)26-14-27(39-19-40(8)32-24(7)35-10-11-36-32)18-28(15-26)42-20-41(9)33-34(42)38-13-12-37-33;14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13;/h10-17,19-23,39H,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]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+)?
carbazol-9-ide-3-carbonitrile;N'-methyl-N-[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+) has a molecular weight of 948.05 g/mol, XLogP of 10.61, 9 rotatable bonds, 1 hydrogen bond donors, and 9 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]pyrazin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-N'-(3-methylpyrazin-2-yl)methanediamine;platinum(4+) is sourced from PubChem (CID 155650545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).