[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C54H52N4OPt — CID 169066426

About [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169066426) has the molecular formula C54H52N4OPt and a molecular weight of 968.11 g/mol. Its IUPAC name is [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 169066426
• Molecular Formula: C54H52N4OPt
• Molecular Weight: 968.11 g/mol
• Exact Mass: 967.38
• IUPAC Name: [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1c(C)c(-c2ccccc2)c(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c(c4)N(c4cc(C(C)(C)C)ccn4)CCC5(C)C)c3)c3ccccc32)c(-c2ccccc2)c1C
• InChI: InChI=1S/C54H52N4O.Pt/c1-36-37(2)50(39-18-11-9-12-19-39)52(51(38(36)3)40-20-13-10-14-21-40)58-35-57(46-24-15-16-25-47(46)58)42-22-17-23-43(33-42)59-44-26-27-45-48(34-44)56(31-29-54(45,7)8)49-32-41(28-30-55-49)53(4,5)6;/h9-28,30,32-34H,29,31H2,1-8H3
• InChIKey: XXZUQIDRNJHCFO-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	968.11
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169066426) is [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1c(C)c(-c2ccccc2)c(-n2c(=[Pt])n(-c3cccc(Oc4ccc5c(c4)N(c4cc(C(C)(C)C)ccn4)CCC5(C)C)c3)c3ccccc32)c(-c2ccccc2)c1C.

What is the InChIKey of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is XXZUQIDRNJHCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N4O.Pt/c1-36-37(2)50(39-18-11-9-12-19-39)52(51(38(36)3)40-20-13-10-14-21-40)58-35-57(46-24-15-16-25-47(46)58)42-22-17-23-43(33-42)59-44-26-27-45-48(34-44)56(31-29-54(45,7)8)49-32-41(28-30-55-49)53(4,5)6;/h9-28,30,32-34H,29,31H2,1-8H3;.

What are the key properties of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 968.11 g/mol, XLogP of 14.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]oxy]phenyl]-3-(3,4,5-trimethyl-2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).