tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

C136H137F3N32Pt4 — CID 158880734

About tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)

tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (PubChem CID 158880734) has the molecular formula C136H137F3N32Pt4 and a molecular weight of 3057.12 g/mol. Its IUPAC name is tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

Molecular Properties

• Compound Name: tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• PubChem CID: 158880734
• Molecular Formula: C136H137F3N32Pt4
• Molecular Weight: 3057.12 g/mol
• Exact Mass: 3055.02
• IUPAC Name: tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)
• SMILES: CC(C)(C)c1n[n-]c(-c2ncnc3ccccc23)c1C(F)(F)F.CC1(C)CCCc2c1n[n-]c2-c1ncnc2ccccc12.CC1(C)CCCc2c1n[n-]c2-c1ncnc2ccccc12.CC12CCC(c3c1n[n-]c3-c1ncnc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ncnc3ccccc13)C2(C)C.Cc1c(C(C)(C)C)n[n-]c1-c1ncnc2ccccc12.Cc1c(C(C)(C)C)n[n-]c1-c1ncnc2ccccc12.Cc1c(C(C)(C)C)n[n-]c1-c1ncnc2ccccc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/2C19H19N4.2C17H17N4.C16H14F3N4.3C16H17N4.4Pt/c2*1-18(2)12-8-9-19(18,3)17-14(12)16(22-23-17)15-11-6-4-5-7-13(11)20-10-21-15;2*1-17(2)9-5-7-12-15(20-21-16(12)17)14-11-6-3-4-8-13(11)18-10-19-14;1-15(2,3)14-11(16(17,18)19)13(22-23-14)12-9-6-4-5-7-10(9)20-8-21-12;3*1-10-13(19-20-15(10)16(2,3)4)14-11-7-5-6-8-12(11)17-9-18-14;;;;/h2*4-7,10,12H,8-9H2,1-3H3;2*3-4,6,8,10H,5,7,9H2,1-2H3;4-8H,1-3H3;3*5-9H,1-4H3;;;;/q8*-1;4*+2
• InChIKey: JCZOTPLSXWAWTJ-UHFFFAOYSA-N
• XLogP: 27.89
• TPSA: 422.16 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3057.12
LogP ≤ 5	27.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The IUPAC name of tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) (CID 158880734) is tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene).

What is the SMILES notation for tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The canonical SMILES for tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is CC(C)(C)c1n[n-]c(-c2ncnc3ccccc23)c1C(F)(F)F.CC1(C)CCCc2c1n[n-]c2-c1ncnc2ccccc12.CC1(C)CCCc2c1n[n-]c2-c1ncnc2ccccc12.CC12CCC(c3c1n[n-]c3-c1ncnc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ncnc3ccccc13)C2(C)C.Cc1c(C(C)(C)C)n[n-]c1-c1ncnc2ccccc12.Cc1c(C(C)(C)C)n[n-]c1-c1ncnc2ccccc12.Cc1c(C(C)(C)C)n[n-]c1-c1ncnc2ccccc12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

The InChIKey is JCZOTPLSXWAWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19N4.2C17H17N4.C16H14F3N4.3C16H17N4.4Pt/c2*1-18(2)12-8-9-19(18,3)17-14(12)16(22-23-17)15-11-6-4-5-7-13(11)20-10-21-15;2*1-17(2)9-5-7-12-15(20-21-16(12)17)14-11-6-3-4-8-13(11)18-10-19-14;1-15(2,3)14-11(16(17,18)19)13(22-23-14)12-9-6-4-5-7-10(9)20-8-21-12;3*1-10-13(19-20-15(10)16(2,3)4)14-11-7-5-6-8-12(11)17-9-18-14;;;;/h2*4-7,10,12H,8-9H2,1-3H3;2*3-4,6,8,10H,5,7,9H2,1-2H3;4-8H,1-3H3;3*5-9H,1-4H3;;;;/q8*-1;4*+2.

What are the key properties of tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene)?

tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) has a molecular weight of 3057.12 g/mol, XLogP of 27.89, 8 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-(3-tert-butyl-4-methylpyrazol-1-id-5-yl)quinazoline);4-[3-tert-butyl-4-(trifluoromethyl)pyrazol-1-id-5-yl]quinazoline;bis(4-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-id-3-yl)quinazoline);tetrakis(platinum(2+));bis(1,10,10-trimethyl-5-quinazolin-4-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene) is sourced from PubChem (CID 158880734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).