2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)

C123H91B3N13Pt3-3 — CID 158643379

About 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)

2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+) (PubChem CID 158643379) has the molecular formula C123H91B3N13Pt3-3 and a molecular weight of 2368.84 g/mol. Its IUPAC name is 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+).

Molecular Properties

• Compound Name: 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)
• PubChem CID: 158643379
• Molecular Formula: C123H91B3N13Pt3-3
• Molecular Weight: 2368.84 g/mol
• Exact Mass: 2367.68
• IUPAC Name: 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]c2c(cc1)N(c1ccccc1)c1ccccc1B2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CN1C=CN(c2[c-]c(B3c4[c-]c(N5C=CN(C)[CH-]5)ccc4N(c4ccccc4)c4ccccc43)ccc2)[CH-]1.[Pt+2].[Pt+4].[Pt].[c-]1ccccc1-c1[c-]c2c(cc1)N(c1ccccc1)c1ccccc1B2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1
• InChI: InChI=1S/C50H40BN5.C41H25BN3.C32H26BN5.3Pt/c1-33(2)38-18-14-19-39(34(3)4)49(38)54-30-29-53-50(54)35-24-27-46-43(31-35)51(42-20-9-11-22-45(42)55(46)37-15-6-5-7-16-37)36-25-26-41-40-17-8-10-21-44(40)56(47(41)32-36)48-23-12-13-28-52-48;1-3-13-29(14-4-1)30-22-25-39-36(27-30)42(35-18-8-10-20-38(35)44(39)32-15-5-2-6-16-32)31-23-24-34-33-17-7-9-19-37(33)45(40(34)28-31)41-21-11-12-26-43-41;1-34-17-19-36(23-34)27-12-8-9-25(21-27)33-29-13-6-7-14-31(29)38(26-10-4-3-5-11-26)32-16-15-28(22-30(32)33)37-20-18-35(2)24-37;;;/h5-30,33-34H,1-4H3;1-13,15-26H;3-20,23-24H,1-2H3;;;/q-2;-3;-4;;+2;+4
• InChIKey: QHYSKBBBSXRXSV-UHFFFAOYSA-N
• XLogP: 21.99
• TPSA: 76.14 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2368.84
LogP ≤ 5	21.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)?

The IUPAC name of 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+) (CID 158643379) is 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+).

What is the SMILES notation for 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)?

The canonical SMILES for 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+) is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]c2c(cc1)N(c1ccccc1)c1ccccc1B2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CN1C=CN(c2[c-]c(B3c4[c-]c(N5C=CN(C)[CH-]5)ccc4N(c4ccccc4)c4ccccc43)ccc2)[CH-]1.[Pt+2].[Pt+4].[Pt].[c-]1ccccc1-c1[c-]c2c(cc1)N(c1ccccc1)c1ccccc1B2c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.

What is the InChIKey of 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)?

The InChIKey is QHYSKBBBSXRXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40BN5.C41H25BN3.C32H26BN5.3Pt/c1-33(2)38-18-14-19-39(34(3)4)49(38)54-30-29-53-50(54)35-24-27-46-43(31-35)51(42-20-9-11-22-45(42)55(46)37-15-6-5-7-16-37)36-25-26-41-40-17-8-10-21-44(40)56(47(41)32-36)48-23-12-13-28-52-48;1-3-13-29(14-4-1)30-22-25-39-36(27-30)42(35-18-8-10-20-38(35)44(39)32-15-5-2-6-16-32)31-23-24-34-33-17-7-9-19-37(33)45(40(34)28-31)41-21-11-12-26-43-41;1-34-17-19-36(23-34)27-12-8-9-25(21-27)33-29-13-6-7-14-31(29)38(26-10-4-3-5-11-26)32-16-15-28(22-30(32)33)37-20-18-35(2)24-37;;;/h5-30,33-34H,1-4H3;1-13,15-26H;3-20,23-24H,1-2H3;;;/q-2;-3;-4;;+2;+4.

What are the key properties of 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+)?

2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+) has a molecular weight of 2368.84 g/mol, XLogP of 21.99, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]-5-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;2-(3-methyl-2H-imidazol-2-id-1-yl)-10-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-5-phenyl-1H-benzo[b][1,4]benzazaborinin-1-ide;5-phenyl-2-phenyl-10-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1,4]benzazaborinin-1-ide;platinum;platinum(2+);platinum(4+) is sourced from PubChem (CID 158643379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).