[13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

C41H30N4OPt-2 — CID 171724282

IUPAC[13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3ccccc32)c1
InChIInChI=1S/C41H30N4O.Pt/c1-28-21-22-42-41(23-28)45-38-8-3-2-7-36(38)37-20-19-35(25-39(37)45)46-34-6-4-5-33(24-34)43-26-40-31-15-13-29-9-11-30(12-10-29)14-17-32(18-16-31)44(40)27-43;/h2-12,16,18-23,26H,13-15,17H2,1H3;/q-2;
InChIKeyDFNNHIOZWICEAH-UHFFFAOYSA-N
MW789.80 g/mol
LogP8.89
Rot. Bonds4

About [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

[13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (PubChem CID 171724282) has the molecular formula C41H30N4OPt-2 and a molecular weight of 789.80 g/mol. Its IUPAC name is [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum.

Molecular Properties

Compound Name[13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
PubChem CID171724282
Molecular FormulaC41H30N4OPt-2
Molecular Weight789.80 g/mol
Exact Mass789.21
IUPAC Name[13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
SMILESCc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3ccccc32)c1
InChIInChI=1S/C41H30N4O.Pt/c1-28-21-22-42-41(23-28)45-38-8-3-2-7-36(38)37-20-19-35(25-39(37)45)46-34-6-4-5-33(24-34)43-26-40-31-15-13-29-9-11-30(12-10-29)14-17-32(18-16-31)44(40)27-43;/h2-12,16,18-23,26H,13-15,17H2,1H3;/q-2;
InChIKeyDFNNHIOZWICEAH-UHFFFAOYSA-N
XLogP8.89
TPSA36.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.80
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum with MolForge

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Related Compounds

[13-[3-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724290
[13-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724283
[13-[3-[[9-[5-(4-tert-butylphenyl)-4,6-dimethyl-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724319
[13-[3-[[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-5,6-dicyclohexyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724177
[13-[3-[[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724175
[13-[3-[[6-phenyl-9-[5-phenyl-4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13,17-triazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724265
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,6-trimethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153413908
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentatert-butylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153413301
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum(2+)
CID 153413546
CID 171595915
CID 171595915
9-(4-methyl-2-pyridinyl)-2-[3-(3,4,5-triphenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;palladium(2+)
CID 153448063
2-[3-[3,5-dimethyl-4-(2,3,4,5,6-pentakis-phenylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153417821

Frequently Asked Questions

What is the IUPAC name of [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?
The IUPAC name of [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724282) is [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum.
What is the SMILES notation for [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?
The canonical SMILES for [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(cc5)CC7)ccc4)ccc3c3ccccc32)c1.
What is the InChIKey of [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?
The InChIKey is DFNNHIOZWICEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4O.Pt/c1-28-21-22-42-41(23-28)45-38-8-3-2-7-36(38)37-20-19-35(25-39(37)45)46-34-6-4-5-33(24-34)43-26-40-31-15-13-29-9-11-30(12-10-29)14-17-32(18-16-31)44(40)27-43;/h2-12,16,18-23,26H,13-15,17H2,1H3;/q-2;.
What are the key properties of [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum?
[13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum has a molecular weight of 789.80 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [13-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is sourced from PubChem (CID 171724282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).