3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide

C83H67F6N15Pt2 — CID 161442839

IUPAC3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4].[Pt+4].c1ccc2c(c1)[n-]c1cnccc12
InChIInChI=1S/2C29H27N6.C14H6F6N.C11H7N2.2Pt/c2*1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;;/h2*6-15,17-18H,1-5H3;1-6H;1-7H;;/q2*-3;2*-1;2*+4
InChIKeyXRRAGDYDOCSHGQ-UHFFFAOYSA-N
MW1778.70 g/mol
LogP19.89
Rot. Bonds6

About 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide

3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide (PubChem CID 161442839) has the molecular formula C83H67F6N15Pt2 and a molecular weight of 1778.70 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide.

Molecular Properties

Compound Name3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide
PubChem CID161442839
Molecular FormulaC83H67F6N15Pt2
Molecular Weight1778.70 g/mol
Exact Mass1777.49
IUPAC Name3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide
SMILESCc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4].[Pt+4].c1ccc2c(c1)[n-]c1cnccc12
InChIInChI=1S/2C29H27N6.C14H6F6N.C11H7N2.2Pt/c2*1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;;/h2*6-15,17-18H,1-5H3;1-6H;1-7H;;/q2*-3;2*-1;2*+4
InChIKeyXRRAGDYDOCSHGQ-UHFFFAOYSA-N
XLogP19.89
TPSA118.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms106
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.70
LogP ≤ 519.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide?
The IUPAC name of 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide (CID 161442839) is 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide.
What is the SMILES notation for 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide?
The canonical SMILES for 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide is Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4].[Pt+4].c1ccc2c(c1)[n-]c1cnccc12.
What is the InChIKey of 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide?
The InChIKey is XRRAGDYDOCSHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H27N6.C14H6F6N.C11H7N2.2Pt/c2*1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;;/h2*6-15,17-18H,1-5H3;1-6H;1-7H;;/q2*-3;2*-1;2*+4.
What are the key properties of 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide?
3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide has a molecular weight of 1778.70 g/mol, XLogP of 19.89, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide is sourced from PubChem (CID 161442839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).