[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

C56H47N5OPt — CID 171724298

About [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

[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 (PubChem CID 171724298) has the molecular formula C56H47N5OPt and a molecular weight of 1001.10 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 171724298
• Molecular Formula: C56H47N5OPt
• Molecular Weight: 1001.10 g/mol
• Exact Mass: 1000.34
• IUPAC Name: [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
• SMILES: Cc1c2ccc(c1C)CCc1ccc(c3cn(-c4cccc(Oc5ccc6c7nc(-c8ccccc8)ccc7n(-c7cc(C(C)C)c(-c8ccccc8)cn7)c6c5)c4)c(=[Pt])n13)CC2
• InChI: InChI=1S/C56H47N5O.Pt/c1-36(2)49-32-55(57-33-50(49)41-12-7-5-8-13-41)61-52-29-28-51(42-14-9-6-10-15-42)58-56(52)48-27-26-47(31-53(48)61)62-46-17-11-16-45(30-46)59-34-54-43-21-20-39-18-19-40(38(4)37(39)3)22-24-44(25-23-43)60(54)35-59;/h5-19,23,25-34,36H,20-22,24H2,1-4H3
• InChIKey: ODLWNIOEQUKLML-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 49.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1001.10
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is Cc1c2ccc(c1C)CCc1ccc(c3cn(-c4cccc(Oc5ccc6c7nc(-c8ccccc8)ccc7n(-c7cc(C(C)C)c(-c8ccccc8)cn7)c6c5)c4)c(=[Pt])n13)CC2.

What is the InChIKey of [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?

The InChIKey is ODLWNIOEQUKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N5O.Pt/c1-36(2)49-32-55(57-33-50(49)41-12-7-5-8-13-41)61-52-29-28-51(42-14-9-6-10-15-42)58-56(52)48-27-26-47(31-53(48)61)62-46-17-11-16-45(30-46)59-34-54-43-21-20-39-18-19-40(38(4)37(39)3)22-24-44(25-23-43)60(54)35-59;/h5-19,23,25-34,36H,20-22,24H2,1-4H3;.

What are the key properties of [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?

[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 has a molecular weight of 1001.10 g/mol, XLogP of 13.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 171724298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).