2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole

C176H139N15Pt5S5 — CID 158148108

IUPAC2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole
SMILESCC(C)(C)C(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)(c1ccccn1)C(C)(C)C.CC1(C)c2ccccc2C(c2[c-]c(-n3c4[c-]c(-c5nccs5)ccc4c4ccccc43)ccc2)(c2ccccn2)c2ccccc21.CCCCC(CCCC)(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)cccc1C1(c2ccccn2)CCCC1.[c-]1c(C(c2ccccc2)c2ccccn2)cccc1-n1c2[c-]c(-c3nccs3)ccc2c2ccccc21
InChIInChI=1S/C42H29N3S.2C35H33N3S.C33H21N3S.C31H23N3S.5Pt/c1-41(2)33-15-4-6-17-35(33)42(39-20-9-10-23-43-39,36-18-7-5-16-34(36)41)29-12-11-13-30(27-29)45-37-19-8-3-14-31(37)32-22-21-28(26-38(32)45)40-44-24-25-46-40;1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)38-29-15-8-7-14-27(29)28-18-17-24(22-30(28)38)32-37-20-21-39-32;1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)38-31-15-8-7-14-29(31)30-18-17-26(24-32(30)38)34-37-22-23-39-34;1-2-9-23(10-3-1)32(29-14-6-7-18-34-29)24-11-8-12-26(21-24)36-30-15-5-4-13-27(30)28-17-16-25(22-31(28)36)33-35-19-20-37-33;1-2-11-27-25(10-1)26-14-13-22(30-33-18-19-35-30)20-28(26)34(27)24-9-7-8-23(21-24)31(15-4-5-16-31)29-12-3-6-17-32-29;;;;;/h3-25H,1-2H3;7-21H,1-6H3;7-18,21-23H,3-6,19-20H2,1-2H3;1-20,32H;1-3,6-14,17-19H,4-5,15-16H2;;;;;/q5*-2;5*+2
InChIKeyODLXEZAYXFYZGW-UHFFFAOYSA-N
MW3599.88 g/mol
LogP44.61
Rot. Bonds27

About 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole

2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole (PubChem CID 158148108) has the molecular formula C176H139N15Pt5S5 and a molecular weight of 3599.88 g/mol. Its IUPAC name is 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole
PubChem CID158148108
Molecular FormulaC176H139N15Pt5S5
Molecular Weight3599.88 g/mol
Exact Mass3596.82
IUPAC Name2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole
SMILESCC(C)(C)C(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)(c1ccccn1)C(C)(C)C.CC1(C)c2ccccc2C(c2[c-]c(-n3c4[c-]c(-c5nccs5)ccc4c4ccccc43)ccc2)(c2ccccn2)c2ccccc21.CCCCC(CCCC)(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)cccc1C1(c2ccccn2)CCCC1.[c-]1c(C(c2ccccc2)c2ccccn2)cccc1-n1c2[c-]c(-c3nccs3)ccc2c2ccccc21
InChIInChI=1S/C42H29N3S.2C35H33N3S.C33H21N3S.C31H23N3S.5Pt/c1-41(2)33-15-4-6-17-35(33)42(39-20-9-10-23-43-39,36-18-7-5-16-34(36)41)29-12-11-13-30(27-29)45-37-19-8-3-14-31(37)32-22-21-28(26-38(32)45)40-44-24-25-46-40;1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)38-29-15-8-7-14-27(29)28-18-17-24(22-30(28)38)32-37-20-21-39-32;1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)38-31-15-8-7-14-29(31)30-18-17-26(24-32(30)38)34-37-22-23-39-34;1-2-9-23(10-3-1)32(29-14-6-7-18-34-29)24-11-8-12-26(21-24)36-30-15-5-4-13-27(30)28-17-16-25(22-31(28)36)33-35-19-20-37-33;1-2-11-27-25(10-1)26-14-13-22(30-33-18-19-35-30)20-28(26)34(27)24-9-7-8-23(21-24)31(15-4-5-16-31)29-12-3-6-17-32-29;;;;;/h3-25H,1-2H3;7-21H,1-6H3;7-18,21-23H,3-6,19-20H2,1-2H3;1-20,32H;1-3,6-14,17-19H,4-5,15-16H2;;;;;/q5*-2;5*+2
InChIKeyODLXEZAYXFYZGW-UHFFFAOYSA-N
XLogP44.61
TPSA153.55 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003599.88
LogP ≤ 544.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?
The IUPAC name of 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole (CID 158148108) is 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole is CC(C)(C)C(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)(c1ccccn1)C(C)(C)C.CC1(C)c2ccccc2C(c2[c-]c(-n3c4[c-]c(-c5nccs5)ccc4c4ccccc43)ccc2)(c2ccccn2)c2ccccc21.CCCCC(CCCC)(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)cccc1C1(c2ccccn2)CCCC1.[c-]1c(C(c2ccccc2)c2ccccn2)cccc1-n1c2[c-]c(-c3nccs3)ccc2c2ccccc21.
What is the InChIKey of 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?
The InChIKey is ODLXEZAYXFYZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3S.2C35H33N3S.C33H21N3S.C31H23N3S.5Pt/c1-41(2)33-15-4-6-17-35(33)42(39-20-9-10-23-43-39,36-18-7-5-16-34(36)41)29-12-11-13-30(27-29)45-37-19-8-3-14-31(37)32-22-21-28(26-38(32)45)40-44-24-25-46-40;1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)38-29-15-8-7-14-27(29)28-18-17-24(22-30(28)38)32-37-20-21-39-32;1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)38-31-15-8-7-14-29(31)30-18-17-26(24-32(30)38)34-37-22-23-39-34;1-2-9-23(10-3-1)32(29-14-6-7-18-34-29)24-11-8-12-26(21-24)36-30-15-5-4-13-27(30)28-17-16-25(22-31(28)36)33-35-19-20-37-33;1-2-11-27-25(10-1)26-14-13-22(30-33-18-19-35-30)20-28(26)34(27)24-9-7-8-23(21-24)31(15-4-5-16-31)29-12-3-6-17-32-29;;;;;/h3-25H,1-2H3;7-21H,1-6H3;7-18,21-23H,3-6,19-20H2,1-2H3;1-20,32H;1-3,6-14,17-19H,4-5,15-16H2;;;;;/q5*-2;5*+2.
What are the key properties of 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?
2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole has a molecular weight of 3599.88 g/mol, XLogP of 44.61, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(platinum(2+));2-[9-[3-(1-pyridin-2-ylcyclopentyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole is sourced from PubChem (CID 158148108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).