2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)

C87H56ClN11Pt — CID 160599862

IUPAC2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
SMILESClc1cc(-c2ccccc2)ccn1.[Pt+2].[c-]1c(-n2cccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)c12.c1ccc(-c2ccnc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-n7cccn7)cc65)cc43)c2)cc1
InChIInChI=1S/C38H25N5.C38H23N5.C11H8ClN.Pt/c2*1-2-9-26(10-3-1)27-19-21-39-38(23-27)43-35-14-7-5-12-31(35)33-18-16-29(25-37(33)43)42-34-13-6-4-11-30(34)32-17-15-28(24-36(32)42)41-22-8-20-40-41;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;/h1-25H;1-23H;1-8H;/q;-2;;+2
InChIKeyXZWHLOJSJGYDHY-UHFFFAOYSA-N
MW1486.01 g/mol
LogP21.26
Rot. Bonds9

About 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)

2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) (PubChem CID 160599862) has the molecular formula C87H56ClN11Pt and a molecular weight of 1486.01 g/mol. Its IUPAC name is 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+).

Molecular Properties

Compound Name2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
PubChem CID160599862
Molecular FormulaC87H56ClN11Pt
Molecular Weight1486.01 g/mol
Exact Mass1484.41
IUPAC Name2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)
SMILESClc1cc(-c2ccccc2)ccn1.[Pt+2].[c-]1c(-n2cccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)c12.c1ccc(-c2ccnc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-n7cccn7)cc65)cc43)c2)cc1
InChIInChI=1S/C38H25N5.C38H23N5.C11H8ClN.Pt/c2*1-2-9-26(10-3-1)27-19-21-39-38(23-27)43-35-14-7-5-12-31(35)33-18-16-29(25-37(33)43)42-34-13-6-4-11-30(34)32-17-15-28(24-36(32)42)41-22-8-20-40-41;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;/h1-25H;1-23H;1-8H;/q;-2;;+2
InChIKeyXZWHLOJSJGYDHY-UHFFFAOYSA-N
XLogP21.26
TPSA94.03 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms100
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001486.01
LogP ≤ 521.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
The IUPAC name of 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) (CID 160599862) is 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+).
What is the SMILES notation for 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
The canonical SMILES for 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) is Clc1cc(-c2ccccc2)ccn1.[Pt+2].[c-]1c(-n2cccn2)ccc2c3ccccc3n(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)c12.c1ccc(-c2ccnc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc(-n7cccn7)cc65)cc43)c2)cc1.
What is the InChIKey of 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
The InChIKey is XZWHLOJSJGYDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5.C38H23N5.C11H8ClN.Pt/c2*1-2-9-26(10-3-1)27-19-21-39-38(23-27)43-35-14-7-5-12-31(35)33-18-16-29(25-37(33)43)42-34-13-6-4-11-30(34)32-17-15-28(24-36(32)42)41-22-8-20-40-41;12-11-8-10(6-7-13-11)9-4-2-1-3-5-9;/h1-25H;1-23H;1-8H;/q;-2;;+2.
What are the key properties of 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+)?
2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) has a molecular weight of 1486.01 g/mol, XLogP of 21.26, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylpyridine;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-yl-1H-carbazol-1-id-9-yl)-1H-carbazol-1-ide;9-(4-phenyl-2-pyridinyl)-2-(2-pyrazol-1-ylcarbazol-9-yl)carbazole;platinum(2+) is sourced from PubChem (CID 160599862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).