5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))

C157H114F6N13O6P3Pt5S2 — CID 159072384

About 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))

5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+)) (PubChem CID 159072384) has the molecular formula C157H114F6N13O6P3Pt5S2 and a molecular weight of 3527.17 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))
• PubChem CID: 159072384
• Molecular Formula: C157H114F6N13O6P3Pt5S2
• Molecular Weight: 3527.17 g/mol
• Exact Mass: 3524.59
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))
• SMILES: Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2P3(=O)c2cc(C)ccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2P3(=O)c2cc(C)ccn2)c1.Cc1cc(Sc2cc(N(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C)ccc2n3-c2ccccn2)c1.Cc1ccc2c(c1)-c1ccc(-c3[c-]c(Oc4ccccn4)cc(C(F)(F)F)c3)[c-]c1P2(=O)c1cc(C(C)(C)C)ccn1.[2H]c1cc(Sc2cc(C(F)(F)F)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc([2H])ccc2n3-c2ccccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C34H26F3N2O2P.C32H26N4S.2C31H23N2O2P.C29H16F3N3S.5Pt/c1-21-8-11-29-28(15-21)27-10-9-22(18-30(27)42(29,40)32-20-24(12-14-39-32)33(2,3)4)23-16-25(34(35,36)37)19-26(17-23)41-31-7-5-6-13-38-31;1-21-8-11-29-28(17-21)27-10-9-23(19-30(27)36(29)31-7-5-6-13-33-31)24-15-22(2)16-26(18-24)37-32-20-25(35(3)4)12-14-34-32;2*1-20-7-10-28-27(16-20)26-9-8-23(19-29(26)36(28,34)31-17-21(2)11-13-33-31)24-14-22(3)15-25(18-24)35-30-6-4-5-12-32-30;30-29(31,32)21-13-15-34-28(18-21)36-22-7-5-6-19(16-22)20-11-12-24-23-8-1-2-9-25(23)35(26(24)17-20)27-10-3-4-14-33-27;;;;;/h5-16,19-20H,1-4H3;5-17,20H,1-4H3;2*4-17H,1-3H3;1-15,18H;;;;;/q5*-2;5*+2/i;;;;1D,5D
• InChIKey: UUNXSIMHISDMOS-APSKFLMLSA-N
• XLogP: 35.62
• TPSA: 220.90 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3527.17
LogP ≤ 5	35.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+)) (CID 159072384) is 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+)).

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+)) is Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2P3(=O)c2cc(C)ccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2P3(=O)c2cc(C)ccn2)c1.Cc1cc(Sc2cc(N(C)C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C)ccc2n3-c2ccccn2)c1.Cc1ccc2c(c1)-c1ccc(-c3[c-]c(Oc4ccccn4)cc(C(F)(F)F)c3)[c-]c1P2(=O)c1cc(C(C)(C)C)ccn1.[2H]c1cc(Sc2cc(C(F)(F)F)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc([2H])ccc2n3-c2ccccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))?

The InChIKey is UUNXSIMHISDMOS-APSKFLMLSA-N. The full InChI is InChI=1S/C34H26F3N2O2P.C32H26N4S.2C31H23N2O2P.C29H16F3N3S.5Pt/c1-21-8-11-29-28(15-21)27-10-9-22(18-30(27)42(29,40)32-20-24(12-14-39-32)33(2,3)4)23-16-25(34(35,36)37)19-26(17-23)41-31-7-5-6-13-38-31;1-21-8-11-29-28(17-21)27-10-9-23(19-30(27)36(29)31-7-5-6-13-33-31)24-15-22(2)16-26(18-24)37-32-20-25(35(3)4)12-14-34-32;2*1-20-7-10-28-27(16-20)26-9-8-23(19-29(26)36(28,34)31-17-21(2)11-13-33-31)24-14-22(3)15-25(18-24)35-30-6-4-5-12-32-30;30-29(31,32)21-13-15-34-28(18-21)36-22-7-5-6-19(16-22)20-11-12-24-23-8-1-2-9-25(23)35(26(24)17-20)27-10-3-4-14-33-27;;;;;/h5-16,19-20H,1-4H3;5-17,20H,1-4H3;2*4-17H,1-3H3;1-15,18H;;;;;/q5*-2;5*+2/i;;;;1D,5D;;;;;.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+))?

5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+)) has a molecular weight of 3527.17 g/mol, XLogP of 35.62, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-8-methyl-3-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-ide 5-oxide;6-deuterio-2-[3-deuterio-5-[[4-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzene-6-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;N,N-dimethyl-2-[3-methyl-5-(6-methyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzene-6-id-1-yl]sulfanylpyridin-4-amine;bis(8-methyl-5-(4-methyl-2-pyridinyl)-3-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-4H-benzo[b]phosphindol-4-ide 5-oxide);pentakis(platinum(2+)) is sourced from PubChem (CID 159072384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).