[1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C83H63N5OPt — CID 168796652

About [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796652) has the molecular formula C83H63N5OPt and a molecular weight of 1341.53 g/mol. Its IUPAC name is [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796652
• Molecular Formula: C83H63N5OPt
• Molecular Weight: 1341.53 g/mol
• Exact Mass: 1340.47
• IUPAC Name: [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(N2c3ccccc3-c3ccccc3N(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C83H63N5O.Pt/c1-57-52-81(84-55-74(57)62-44-42-59(43-45-62)58-24-8-5-9-25-58)88-77-39-19-16-33-71(77)70-32-14-17-37-75(70)87(64-48-46-63(47-49-64)83(2,3)4)76-38-18-15-34-72(76)73-51-50-67(54-80(73)88)89-66-31-22-30-65(53-66)85-56-86(79-41-21-20-40-78(79)85)82-68(60-26-10-6-11-27-60)35-23-36-69(82)61-28-12-7-13-29-61;/h5-55H,1-4H3
• InChIKey: AWHSDSFLURILJE-UHFFFAOYSA-N
• XLogP: 22.55
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1341.53
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796652) is [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1cc(N2c3ccccc3-c3ccccc3N(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is AWHSDSFLURILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H63N5O.Pt/c1-57-52-81(84-55-74(57)62-44-42-59(43-45-62)58-24-8-5-9-25-58)88-77-39-19-16-33-71(77)70-32-14-17-37-75(70)87(64-48-46-63(47-49-64)83(2,3)4)76-38-18-15-34-72(76)73-51-50-67(54-80(73)88)89-66-31-22-30-65(53-66)85-56-86(79-41-21-20-40-78(79)85)82-68(60-26-10-6-11-27-60)35-23-36-69(82)61-28-12-7-13-29-61;/h5-55H,1-4H3;.

What are the key properties of [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1341.53 g/mol, XLogP of 22.55, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[21-(4-tert-butylphenyl)-8-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-8,21-diazapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-5-yl]oxy]phenyl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).