bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)

C154H133F6N19Pt4 — CID 159292294

IUPACbis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
SMILESCC(C)(C)c1cc(-c2nccc3ccccc23)[n-]n1.CC(C)(C)c1cc(-c2nccc3ccccc23)[n-]n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1cnc(-c2[c-]c(N(c3[c-]c(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1-c1ccccc1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C60H43N3.C36H44N4.2C16H16N3.2C13H7F3N3.4Pt/c1-42-40-61-58(38-56(42)47-26-14-6-15-27-47)51-32-49(44-20-8-3-9-21-44)34-53(36-51)63(60-31-19-18-30-55(60)46-24-12-5-13-25-46)54-35-50(45-22-10-4-11-23-45)33-52(37-54)59-39-57(43(2)41-62-59)48-28-16-7-17-29-48;1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;2*1-16(2,3)14-10-13(18-19-14)15-12-7-5-4-6-11(12)8-9-17-15;2*14-13(15,16)11-7-10(18-19-11)12-9-4-2-1-3-8(9)5-6-17-12;;;;/h3-35,38-41H,1-2H3;17-20H,9-16H2,1-8H3;2*4-10H,1-3H3;2*1-7H;;;;/q2*-2;4*-1;4*+2/b;29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;
InChIKeyJGRQNVWXGCAMEZ-OXBSLRQWSA-N
MW3144.19 g/mol
LogP38.76
Rot. Bonds22

About bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)

bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) (PubChem CID 159292294) has the molecular formula C154H133F6N19Pt4 and a molecular weight of 3144.19 g/mol. Its IUPAC name is bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline).

Molecular Properties

Compound Namebis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
PubChem CID159292294
Molecular FormulaC154H133F6N19Pt4
Molecular Weight3144.19 g/mol
Exact Mass3141.95
IUPAC Namebis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)
SMILESCC(C)(C)c1cc(-c2nccc3ccccc23)[n-]n1.CC(C)(C)c1cc(-c2nccc3ccccc23)[n-]n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1cnc(-c2[c-]c(N(c3[c-]c(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1-c1ccccc1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C60H43N3.C36H44N4.2C16H16N3.2C13H7F3N3.4Pt/c1-42-40-61-58(38-56(42)47-26-14-6-15-27-47)51-32-49(44-20-8-3-9-21-44)34-53(36-51)63(60-31-19-18-30-55(60)46-24-12-5-13-25-46)54-35-50(45-22-10-4-11-23-45)33-52(37-54)59-39-57(43(2)41-62-59)48-28-16-7-17-29-48;1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;2*1-16(2,3)14-10-13(18-19-14)15-12-7-5-4-6-11(12)8-9-17-15;2*14-13(15,16)11-7-10(18-19-11)12-9-4-2-1-3-8(9)5-6-17-12;;;;/h3-35,38-41H,1-2H3;17-20H,9-16H2,1-8H3;2*4-10H,1-3H3;2*1-7H;;;;/q2*-2;4*-1;4*+2/b;29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;
InChIKeyJGRQNVWXGCAMEZ-OXBSLRQWSA-N
XLogP38.76
TPSA242.52 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds22
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003144.19
LogP ≤ 538.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
The IUPAC name of bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) (CID 159292294) is bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline).
What is the SMILES notation for bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
The canonical SMILES for bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) is CC(C)(C)c1cc(-c2nccc3ccccc23)[n-]n1.CC(C)(C)c1cc(-c2nccc3ccccc23)[n-]n1.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cc1cnc(-c2[c-]c(N(c3[c-]c(-c4cc(-c5ccccc5)c(C)cn4)cc(-c4ccccc4)c3)c3ccccc3-c3ccccc3)cc(-c3ccccc3)c2)cc1-c1ccccc1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.FC(F)(F)c1cc(-c2nccc3ccccc23)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
The InChIKey is JGRQNVWXGCAMEZ-OXBSLRQWSA-N. The full InChI is InChI=1S/C60H43N3.C36H44N4.2C16H16N3.2C13H7F3N3.4Pt/c1-42-40-61-58(38-56(42)47-26-14-6-15-27-47)51-32-49(44-20-8-3-9-21-44)34-53(36-51)63(60-31-19-18-30-55(60)46-24-12-5-13-25-46)54-35-50(45-22-10-4-11-23-45)33-52(37-54)59-39-57(43(2)41-62-59)48-28-16-7-17-29-48;1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;2*1-16(2,3)14-10-13(18-19-14)15-12-7-5-4-6-11(12)8-9-17-15;2*14-13(15,16)11-7-10(18-19-11)12-9-4-2-1-3-8(9)5-6-17-12;;;;/h3-35,38-41H,1-2H3;17-20H,9-16H2,1-8H3;2*4-10H,1-3H3;2*1-7H;;;;/q2*-2;4*-1;4*+2/b;29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;.
What are the key properties of bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline)?
bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) has a molecular weight of 3144.19 g/mol, XLogP of 38.76, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(3-tert-butylpyrazol-1-id-5-yl)isoquinoline);3-(5-methyl-4-phenyl-2-pyridinyl)-N-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]-5-phenyl-N-(2-phenylphenyl)benzene-2-id-1-amine;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;tetrakis(platinum(2+));bis(1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline) is sourced from PubChem (CID 159292294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).