benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide

C168H121BClN17OPt5S-3 — CID 157280644

About benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide

benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide (PubChem CID 157280644) has the molecular formula C168H121BClN17OPt5S-3 and a molecular weight of 3447.66 g/mol. Its IUPAC name is benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide.

Molecular Properties

• Compound Name: benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide
• PubChem CID: 157280644
• Molecular Formula: C168H121BClN17OPt5S-3
• Molecular Weight: 3447.66 g/mol
• Exact Mass: 3444.77
• IUPAC Name: benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide
• SMILES: CCC1(c2ccccn2)c2[c-]c(-c3ccc4ccccc4n3)ccc2-c2ccccc21.CCC1(c2ccccn2)c2[c-]c(-c3ccccn3)ccc2-c2ccccc21.CCS1(CC)c2ccccc2-c2cnc(-n3c4[c-]c(-n5[c-][n+](C)cc5)ccc4c4ccccc43)cc21.C[n+]1[c-]n(-c2ccc3c(n2)N(c2[c-]c4c(cc2)c2ccccc2n4-c2[c-]cccc2)c2ccccc2O3)cc1.Cl[Pt].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2nccc3ccccc23)ccc2c1B(c1ccccn1)c1ccccc1-2.[c-]1ccc2ccccc2c1.[c-]1ccccc1.[c-]1ncc2ccccc2n1
• InChI: InChI=1S/C33H21N5O.C31H27N4S.C29H21N2.C26H16BN2.C25H19N2.C10H7.C8H5N2.C6H5.ClH.5Pt/c1-35-19-20-36(22-35)32-18-17-31-33(34-32)38(28-13-7-8-14-30(28)39-31)24-15-16-26-25-11-5-6-12-27(25)37(29(26)21-24)23-9-3-2-4-10-23;1-4-36(5-2)29-13-9-7-11-25(29)26-20-32-31(19-30(26)36)35-27-12-8-6-10-23(27)24-15-14-22(18-28(24)35)34-17-16-33(3)21-34;1-2-29(28-13-7-8-18-30-28)24-11-5-4-10-22(24)23-16-14-21(19-25(23)29)27-17-15-20-9-3-6-12-26(20)31-27;1-2-8-20-18(7-1)14-16-29-26(20)19-12-13-22-21-9-3-4-10-23(21)27(24(22)17-19)25-11-5-6-15-28-25;1-2-25(24-12-6-8-16-27-24)21-10-4-3-9-19(21)20-14-13-18(17-22(20)25)23-11-5-7-15-26-23;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;;;;;;/h2-9,11-20H,1H3;6-17,19-20H,4-5H2,1-3H3;3-18H,2H2,1H3;1-16H;3-16H,2H2,1H3;1-3,5-8H;1-5H;1-5H;1H;;;;;/q-2;7*-1;;;+1;3*+2/p-1
• InChIKey: VYSQXQJFANCXLI-UHFFFAOYSA-M
• XLogP: 35.72
• TPSA: 168.85 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3447.66
LogP ≤ 5	35.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide?

The IUPAC name of benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide (CID 157280644) is benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide.

What is the SMILES notation for benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide?

The canonical SMILES for benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide is CCC1(c2ccccn2)c2[c-]c(-c3ccc4ccccc4n3)ccc2-c2ccccc21.CCC1(c2ccccn2)c2[c-]c(-c3ccccn3)ccc2-c2ccccc21.CCS1(CC)c2ccccc2-c2cnc(-n3c4[c-]c(-n5[c-][n+](C)cc5)ccc4c4ccccc43)cc21.C[n+]1[c-]n(-c2ccc3c(n2)N(c2[c-]c4c(cc2)c2ccccc2n4-c2[c-]cccc2)c2ccccc2O3)cc1.Cl[Pt].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2nccc3ccccc23)ccc2c1B(c1ccccn1)c1ccccc1-2.[c-]1ccc2ccccc2c1.[c-]1ccccc1.[c-]1ncc2ccccc2n1.

What is the InChIKey of benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide?

The InChIKey is VYSQXQJFANCXLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H21N5O.C31H27N4S.C29H21N2.C26H16BN2.C25H19N2.C10H7.C8H5N2.C6H5.ClH.5Pt/c1-35-19-20-36(22-35)32-18-17-31-33(34-32)38(28-13-7-8-14-30(28)39-31)24-15-16-26-25-11-5-6-12-27(25)37(29(26)21-24)23-9-3-2-4-10-23;1-4-36(5-2)29-13-9-7-11-25(29)26-20-32-31(19-30(26)36)35-27-12-8-6-10-23(27)24-15-14-22(18-28(24)35)34-17-16-33(3)21-34;1-2-29(28-13-7-8-18-30-28)24-11-5-4-10-22(24)23-16-14-21(19-25(23)29)27-17-15-20-9-3-6-12-26(20)31-27;1-2-8-20-18(7-1)14-16-29-26(20)19-12-13-22-21-9-3-4-10-23(21)27(24(22)17-19)25-11-5-6-15-28-25;1-2-25(24-12-6-8-16-27-24)21-10-4-3-9-19(21)20-14-13-18(17-22(20)25)23-11-5-7-15-26-23;1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-6-5-3-1;;;;;;/h2-9,11-20H,1H3;6-17,19-20H,4-5H2,1-3H3;3-18H,2H2,1H3;1-16H;3-16H,2H2,1H3;1-3,5-8H;1-5H;1-5H;1H;;;;;/q-2;7*-1;;;+1;3*+2/p-1.

What are the key properties of benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide?

benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide has a molecular weight of 3447.66 g/mol, XLogP of 35.72, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;chloroplatinum;5,5-diethyl-3-[2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-1H-carbazol-1-id-9-yl]-[1]benzothiolo[3,2-c]pyridine;2-(9-ethyl-2-pyridin-2-yl-1H-fluoren-1-id-9-yl)pyridine;2-(9-ethyl-9-pyridin-2-yl-1H-fluoren-1-id-2-yl)quinoline;2-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)-10-(9-phenyl-1H-carbazol-1-id-2-yl)pyrido[3,2-b][1,4]benzoxazine;2H-naphthalen-2-ide;platinum;tris(platinum(2+));1-(5-pyridin-2-yl-4H-benzo[b][1]benzoborol-4-id-3-yl)isoquinoline;2H-quinazolin-2-ide is sourced from PubChem (CID 157280644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).