9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)

C46H40N6OPt — CID 171769465

IUPAC9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)
SMILES[2H]C(C)(C)c1cccc2c3cccc(C([2H])(C)C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-n7nccn7)c(C)cc6C)ccc5c5cc(C)ccc54)c3)c12.[Pt+2]
InChIInChI=1S/C46H40N6O.Pt/c1-27(2)34-10-8-12-37-38-13-9-11-35(28(3)4)46(38)50(45(34)37)32-18-19-47-44(24-32)51-40-17-14-29(5)22-39(40)36-16-15-33(25-42(36)51)53-43-26-41(30(6)23-31(43)7)52-48-20-21-49-52;/h8-24,27-28H,1-7H3;/q-2;+2/i27D,28D;
InChIKeyKOXAHCFREXCXSE-HYEZVOBQSA-N
MW889.96 g/mol
LogP11.42
Rot. Bonds7

About 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)

9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 171769465) has the molecular formula C46H40N6OPt and a molecular weight of 889.96 g/mol. Its IUPAC name is 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)
PubChem CID171769465
Molecular FormulaC46H40N6OPt
Molecular Weight889.96 g/mol
Exact Mass889.30
IUPAC Name9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)
SMILES[2H]C(C)(C)c1cccc2c3cccc(C([2H])(C)C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-n7nccn7)c(C)cc6C)ccc5c5cc(C)ccc54)c3)c12.[Pt+2]
InChIInChI=1S/C46H40N6O.Pt/c1-27(2)34-10-8-12-37-38-13-9-11-35(28(3)4)46(38)50(45(34)37)32-18-19-47-44(24-32)51-40-17-14-29(5)22-39(40)36-16-15-33(25-42(36)51)53-43-26-41(30(6)23-31(43)7)52-48-20-21-49-52;/h8-24,27-28H,1-7H3;/q-2;+2/i27D,28D;
InChIKeyKOXAHCFREXCXSE-HYEZVOBQSA-N
XLogP11.42
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.96
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-[2-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(2-deuteriopropan-2-yl)carbazole;platinum(2+)
CID 171769390
9-[4-(1,8-dimethylcarbazol-9-yl)-2-pyridinyl]-2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)
CID 171769299
1,8-dimethyl-9-[2-[2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
CID 171769510
9-[2-[2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole;platinum(2+)
CID 171769127
9-[2-[2-[3-(2-deuteriopropan-2-yl)-5-(4,5-dimethyltriazol-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-bis(1,1-dideuterioethyl)carbazole;platinum(2+)
CID 171769477
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,4,5,8-tetramethylcarbazole;platinum(2+)
CID 171769161
3-methyl-2-[[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176605761
9-[2-[2-[3-(4-ethyl-5-propan-2-yltriazol-2-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]-1,8-dimethyl-3,6-di(propan-2-yl)carbazole;platinum(2+)
CID 171769530
1,8-bis(2-deuteriopropan-2-yl)-2,7-dimethyl-9-[2-[2-[3-methyl-5-(4-methyl-2-pyridinyl)phenoxy]carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769533
2-[3-[3,5-bis(methylsulfanyl)-4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153417534
(3aS,9bR)-2-[5-[[9-(4-tert-butyl-2-pyridinyl)-6-methyl-1H-carbazol-1-id-2-yl]oxy]-2,4-dimethylbenzene-6-id-1-yl]-5,5,7,9b-tetramethyl-3a,4-dihydrobenzo[e][1,3]benzoxazole;platinum(2+)
CID 170935753
1,8-ditert-butyl-9-[2-[2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-4-pyridinyl]carbazole;platinum(2+)
CID 171769271

Frequently Asked Questions

What is the IUPAC name of 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) (CID 171769465) is 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) is [2H]C(C)(C)c1cccc2c3cccc(C([2H])(C)C)c3n(-c3ccnc(-n4c5[c-]c(Oc6[c-]c(-n7nccn7)c(C)cc6C)ccc5c5cc(C)ccc54)c3)c12.[Pt+2].
What is the InChIKey of 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is KOXAHCFREXCXSE-HYEZVOBQSA-N. The full InChI is InChI=1S/C46H40N6O.Pt/c1-27(2)34-10-8-12-37-38-13-9-11-35(28(3)4)46(38)50(45(34)37)32-18-19-47-44(24-32)51-40-17-14-29(5)22-39(40)36-16-15-33(25-42(36)51)53-43-26-41(30(6)23-31(43)7)52-48-20-21-49-52;/h8-24,27-28H,1-7H3;/q-2;+2/i27D,28D;.
What are the key properties of 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+)?
9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 889.96 g/mol, XLogP of 11.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[1,8-bis(2-deuteriopropan-2-yl)carbazol-9-yl]-2-pyridinyl]-2-[2,4-dimethyl-5-(triazol-2-yl)benzene-6-id-1-yl]oxy-6-methyl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 171769465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).