2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum

C68H70N3OPt- — CID 171734212

About 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum

2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum (PubChem CID 171734212) has the molecular formula C68H70N3OPt- and a molecular weight of 1140.41 g/mol. Its IUPAC name is 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum.

Molecular Properties

• Compound Name: 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum
• PubChem CID: 171734212
• Molecular Formula: C68H70N3OPt-
• Molecular Weight: 1140.41 g/mol
• Exact Mass: 1139.52
• IUPAC Name: 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum
• SMILES: Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2C(C)(C)C3(C)C)nc2c(-c3[c-]cccc3)c(-c3c(-c4cc(C(C)C)cc(C(C)C)c4)cccc3-c3cc(C(C)C)cc(C(C)C)c3)ccc21.[Pt]
• InChI: InChI=1S/C68H70N3O.Pt/c1-39(2)46-33-47(40(3)4)36-50(35-46)52-25-19-26-53(51-37-48(41(5)6)34-49(38-51)42(7)8)61(52)54-29-32-58-64(60(54)45-23-16-15-17-24-45)70-66(71(58)65-43(9)21-18-22-44(65)10)57-31-30-56-63(69-57)62-55(27-20-28-59(62)72)67(11,12)68(56,13)14;/h15-23,25-42,72H,1-14H3;/q-1
• InChIKey: CCQWLMZCNJEIFC-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1140.41
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum?

The IUPAC name of 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum (CID 171734212) is 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum.

What is the SMILES notation for 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum?

The canonical SMILES for 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum is Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2C(C)(C)C3(C)C)nc2c(-c3[c-]cccc3)c(-c3c(-c4cc(C(C)C)cc(C(C)C)c4)cccc3-c3cc(C(C)C)cc(C(C)C)c3)ccc21.[Pt].

What is the InChIKey of 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum?

The InChIKey is CCQWLMZCNJEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H70N3O.Pt/c1-39(2)46-33-47(40(3)4)36-50(35-46)52-25-19-26-53(51-37-48(41(5)6)34-49(38-51)42(7)8)61(52)54-29-32-58-64(60(54)45-23-16-15-17-24-45)70-66(71(58)65-43(9)21-18-22-44(65)10)57-31-30-56-63(69-57)62-55(27-20-28-59(62)72)67(11,12)68(56,13)14;/h15-23,25-42,72H,1-14H3;/q-1;.

What are the key properties of 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum?

2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum has a molecular weight of 1140.41 g/mol, XLogP of 18.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum is sourced from PubChem (CID 171734212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).