9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine

C136H93N13OPt — CID 158391537

About 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine (PubChem CID 158391537) has the molecular formula C136H93N13OPt and a molecular weight of 2120.41 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine.

Molecular Properties

• Compound Name: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
• PubChem CID: 158391537
• Molecular Formula: C136H93N13OPt
• Molecular Weight: 2120.41 g/mol
• Exact Mass: 2118.73
• IUPAC Name: 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
• SMILES: Cn1ccnc1-c1[c-]c(Oc2[c-]c(-n3cccn3)ccc2)ccc1.[Pt+2].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C42H30N2.C39H25N5.C36H24N2.C19H14N4O.Pt/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-36-26-14-16-28-38(36)42(30-40(39)35-25-13-15-27-37(35)41)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-22-12-10-20-19(22)15-5-2-7-17(13-15)24-18-8-3-6-16(14-18)23-11-4-9-21-23;/h1-30H;1-25H;1-24H;2-12H,1H3;/q;;;-2;+2
• InChIKey: UKQZWRXSEDJSHZ-UHFFFAOYSA-N
• XLogP: 34.70
• TPSA: 109.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2120.41
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?

The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine (CID 158391537) is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine.

What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?

The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine is Cn1ccnc1-c1[c-]c(Oc2[c-]c(-n3cccn3)ccc2)ccc1.[Pt+2].c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(N(c2ccccc2)c2cc3c4ccccc4c(N(c4ccccc4)c4ccccc4)cc3c3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?

The InChIKey is UKQZWRXSEDJSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2.C39H25N5.C36H24N2.C19H14N4O.Pt/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)41-29-39-36-26-14-16-28-38(36)42(30-40(39)35-25-13-15-27-37(35)41)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-22-12-10-20-19(22)15-5-2-7-17(13-15)24-18-8-3-6-16(14-18)23-11-4-9-21-23;/h1-30H;1-25H;1-24H;2-12H,1H3;/q;;;-2;+2.

What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine?

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine has a molecular weight of 2120.41 g/mol, XLogP of 34.70, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;1-methyl-2-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]imidazole;platinum(2+);6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine is sourced from PubChem (CID 158391537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).