benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne

C166H137F3N13O5Pt4S+3 — CID 159920597

About benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne

benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne (PubChem CID 159920597) has the molecular formula C166H137F3N13O5Pt4S+3 and a molecular weight of 3263.38 g/mol. Its IUPAC name is benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne.

Molecular Properties

• Compound Name: benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne
• PubChem CID: 159920597
• Molecular Formula: C166H137F3N13O5Pt4S+3
• Molecular Weight: 3263.38 g/mol
• Exact Mass: 3260.91
• IUPAC Name: benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne
• SMILES: C1CC[N-]C1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c(N3c4ccccc4Oc4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c3c(cc2)Oc2ccccc2N3c2ccccn2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c1.O=S(=O)(O)c1ccccc1.[C-]#CC(F)(F)F.[C-]#CCCC.[Pt+2].[Pt+2].[Pt+2].[Pt]
• InChI: InChI=1S/2C37H29N3O.2C37H29N3.C6H6O3S.C5H7.C4H8N.C3F3.4Pt/c1-25-21-30(27-11-5-4-6-12-27)22-26(2)36(25)29-18-20-39(3)33(24-29)28-13-9-14-31(23-28)40-32-15-7-8-16-34(32)41-35-17-10-19-38-37(35)40;1-25-21-30(27-11-5-4-6-12-27)22-26(2)37(25)29-18-20-39(3)32(24-29)28-16-17-35-33(23-28)40(36-15-9-10-19-38-36)31-13-7-8-14-34(31)41-35;1-25-21-30(27-11-5-4-6-12-27)22-26(2)36(25)29-18-20-39(3)35(24-29)28-13-9-14-31(23-28)40-34-17-8-7-15-32(34)33-16-10-19-38-37(33)40;1-25-21-30(27-11-5-4-6-12-27)22-26(2)37(25)29-18-20-39(3)34(24-29)28-16-17-32-31-13-7-8-14-33(31)40(35(32)23-28)36-15-9-10-19-38-36;7-10(8,9)6-4-2-1-3-5-6;1-3-5-4-2;1-2-4-5-3-1;1-2-3(4,5)6;;;;/h2*4-22,24H,1-3H3;2*4-22,24H,1-3H3;1-5H,(H,7,8,9);3,5H2,1H3;1-4H2;;;;;/q;;;;;3*-1;;3*+2
• InChIKey: GRQCYVXFCCRTGL-UHFFFAOYSA-N
• XLogP: 39.23
• TPSA: 170.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3263.38
LogP ≤ 5	39.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne?

The IUPAC name of benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne (CID 159920597) is benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne.

What is the SMILES notation for benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne?

The canonical SMILES for benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne is C1CC[N-]C1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c(-n3c4ccccc4c4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c(N3c4ccccc4Oc4cccnc43)ccc2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c3c(cc2)Oc2ccccc2N3c2ccccn2)c1.Cc1cc(-c2ccccc2)cc(C)c1-c1cc[n+](C)c(-c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c1.O=S(=O)(O)c1ccccc1.[C-]#CC(F)(F)F.[C-]#CCCC.[Pt+2].[Pt+2].[Pt+2].[Pt].

What is the InChIKey of benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne?

The InChIKey is GRQCYVXFCCRTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H29N3O.2C37H29N3.C6H6O3S.C5H7.C4H8N.C3F3.4Pt/c1-25-21-30(27-11-5-4-6-12-27)22-26(2)36(25)29-18-20-39(3)33(24-29)28-13-9-14-31(23-28)40-32-15-7-8-16-34(32)41-35-17-10-19-38-37(35)40;1-25-21-30(27-11-5-4-6-12-27)22-26(2)37(25)29-18-20-39(3)32(24-29)28-16-17-35-33(23-28)40(36-15-9-10-19-38-36)31-13-7-8-14-34(31)41-35;1-25-21-30(27-11-5-4-6-12-27)22-26(2)36(25)29-18-20-39(3)35(24-29)28-13-9-14-31(23-28)40-34-17-8-7-15-32(34)33-16-10-19-38-37(33)40;1-25-21-30(27-11-5-4-6-12-27)22-26(2)37(25)29-18-20-39(3)34(24-29)28-16-17-32-31-13-7-8-14-33(31)40(35(32)23-28)36-15-9-10-19-38-36;7-10(8,9)6-4-2-1-3-5-6;1-3-5-4-2;1-2-4-5-3-1;1-2-3(4,5)6;;;;/h2*4-22,24H,1-3H3;2*4-22,24H,1-3H3;1-5H,(H,7,8,9);3,5H2,1H3;1-4H2;;;;;/q;;;;;3*-1;;3*+2.

What are the key properties of benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne?

benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne has a molecular weight of 3263.38 g/mol, XLogP of 39.23, 18 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonic acid;10-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;9-[3-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]benzene-2-id-1-yl]pyrido[2,3-b]indole;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[4-(2,6-dimethyl-4-phenylphenyl)-1-methylpyridin-1-ium-2-yl]-10-pyridin-2-yl-1H-phenoxazin-1-ide;pent-1-yne;platinum;tris(platinum(2+));pyrrolidin-1-ide;3,3,3-trifluoroprop-1-yne is sourced from PubChem (CID 159920597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).