[13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum

C50H42N4OPt — CID 171724192

IUPAC[13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(c(C)c5C)CC7)c4)cc32)nc(C)c1-c1ccccc1
InChIInChI=1S/C50H42N4O.Pt/c1-32-27-49(51-35(4)50(32)39-11-6-5-7-12-39)54-46-16-9-8-15-44(46)45-26-25-43(29-47(45)54)55-42-14-10-13-41(28-42)52-30-48-38-20-19-36-17-18-37(34(3)33(36)2)21-23-40(24-22-38)53(48)31-52;/h5-18,22,24-30H,19-21,23H2,1-4H3;
InChIKeyYYELBARIRYMYCD-UHFFFAOYSA-N
MW909.99 g/mol
LogP11.88
Rot. Bonds5

About [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 171724192) has the molecular formula C50H42N4OPt and a molecular weight of 909.99 g/mol. Its IUPAC name is [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
PubChem CID171724192
Molecular FormulaC50H42N4OPt
Molecular Weight909.99 g/mol
Exact Mass909.30
IUPAC Name[13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
SMILESCc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(c(C)c5C)CC7)c4)cc32)nc(C)c1-c1ccccc1
InChIInChI=1S/C50H42N4O.Pt/c1-32-27-49(51-35(4)50(32)39-11-6-5-7-12-39)54-46-16-9-8-15-44(46)45-26-25-43(29-47(45)54)55-42-14-10-13-41(28-42)52-30-48-38-20-19-36-17-18-37(34(3)33(36)2)21-23-40(24-22-38)53(48)31-52;/h5-18,22,24-30H,19-21,23H2,1-4H3;
InChIKeyYYELBARIRYMYCD-UHFFFAOYSA-N
XLogP11.88
TPSA36.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.99
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-[5-(4-tert-butylphenyl)-4,6-dimethyl-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 171724159
[13-[3-[9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum
CID 171724119
[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
[5,6-dimethyl-13-[3-[2-phenyl-5-(5-phenyl-4-propan-2-yl-2-pyridinyl)pyrido[3,2-b]indol-7-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 171724298
[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-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxyphenyl]-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 171724276
[13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-(2-phenylpropan-2-yl)-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 171724258
[13-[3-tert-butyl-5-[9-[5-(4-tert-butylphenyl)-4-propan-2-yl-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 171724228
[13-[3-[9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-6-phenylcarbazol-2-yl]oxyphenyl]-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 171724145
[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-[[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
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841

Frequently Asked Questions

What is the IUPAC name of [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum (CID 171724192) is [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-11,13-diazatetracyclo[8.5.2.24,7.011,15]nonadeca-1(16),4,6,10(17),14,18-hexaen-12-ylidene]platinum is Cc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc6c7ccc(n6c5=[Pt])CCc5ccc(c(C)c5C)CC7)c4)cc32)nc(C)c1-c1ccccc1.
What is the InChIKey of [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 YYELBARIRYMYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O.Pt/c1-32-27-49(51-35(4)50(32)39-11-6-5-7-12-39)54-46-16-9-8-15-44(46)45-26-25-43(29-47(45)54)55-42-14-10-13-41(28-42)52-30-48-38-20-19-36-17-18-37(34(3)33(36)2)21-23-40(24-22-38)53(48)31-52;/h5-18,22,24-30H,19-21,23H2,1-4H3;.
What are the key properties of [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 909.99 g/mol, XLogP of 11.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [13-[3-[9-(4,6-dimethyl-5-phenyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5,6-dimethyl-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 171724192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).