2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))

C160H144N16O4Pt4 — CID 157180170

IUPAC2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCCCCCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCc1c(-c2ccccc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C42H40N4O.C41H38N4O.C39H34N4O.C38H32N4O.4Pt/c1-4-6-7-8-12-22-39-42(31-16-10-9-11-17-31)37(5-2)44-46(39)32-18-15-19-33(28-32)47-34-23-24-36-35-20-13-14-21-38(35)45(40(36)29-34)41-27-30(3)25-26-43-41;1-4-6-7-11-21-38-41(30-15-9-8-10-16-30)36(5-2)43-45(38)31-17-14-18-32(27-31)46-33-22-23-35-34-19-12-13-20-37(34)44(39(35)28-33)40-26-29(3)24-25-42-40;1-4-6-18-36-39(28-13-8-7-9-14-28)34(5-2)41-43(36)29-15-12-16-30(25-29)44-31-20-21-33-32-17-10-11-19-35(32)42(37(33)26-31)38-24-27(3)22-23-40-38;1-5-33-37(27-12-7-6-8-13-27)38(25(2)3)40-42(33)28-14-11-15-29(23-28)43-30-18-19-32-31-16-9-10-17-34(31)41(35(32)24-30)36-22-26(4)20-21-39-36;;;;/h9-11,13-21,23-27H,4-8,12,22H2,1-3H3;8-10,12-20,22-26H,4-7,11,21H2,1-3H3;7-17,19-24H,4-6,18H2,1-3H3;6-22,25H,5H2,1-4H3;;;;/q4*-2;4*+2
InChIKeyISEXWJJPIXOVGE-UHFFFAOYSA-N
MW3135.33 g/mol
LogP40.27
Rot. Bonds39

About 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))

2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 157180170) has the molecular formula C160H144N16O4Pt4 and a molecular weight of 3135.33 g/mol. Its IUPAC name is 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
PubChem CID157180170
Molecular FormulaC160H144N16O4Pt4
Molecular Weight3135.33 g/mol
Exact Mass3133.01
IUPAC Name2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCCCCCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCc1c(-c2ccccc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C42H40N4O.C41H38N4O.C39H34N4O.C38H32N4O.4Pt/c1-4-6-7-8-12-22-39-42(31-16-10-9-11-17-31)37(5-2)44-46(39)32-18-15-19-33(28-32)47-34-23-24-36-35-20-13-14-21-38(35)45(40(36)29-34)41-27-30(3)25-26-43-41;1-4-6-7-11-21-38-41(30-15-9-8-10-16-30)36(5-2)43-45(38)31-17-14-18-32(27-31)46-33-22-23-35-34-19-12-13-20-37(34)44(39(35)28-33)40-26-29(3)24-25-42-40;1-4-6-18-36-39(28-13-8-7-9-14-28)34(5-2)41-43(36)29-15-12-16-30(25-29)44-31-20-21-33-32-17-10-11-19-35(32)42(37(33)26-31)38-24-27(3)22-23-40-38;1-5-33-37(27-12-7-6-8-13-27)38(25(2)3)40-42(33)28-14-11-15-29(23-28)43-30-18-19-32-31-16-9-10-17-34(31)41(35(32)24-30)36-22-26(4)20-21-39-36;;;;/h9-11,13-21,23-27H,4-8,12,22H2,1-3H3;8-10,12-20,22-26H,4-7,11,21H2,1-3H3;7-17,19-24H,4-6,18H2,1-3H3;6-22,25H,5H2,1-4H3;;;;/q4*-2;4*+2
InChIKeyISEXWJJPIXOVGE-UHFFFAOYSA-N
XLogP40.27
TPSA179.48 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003135.33
LogP ≤ 540.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The IUPAC name of 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) (CID 157180170) is 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The canonical SMILES for 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) is CCCCCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCc1c(-c2ccccc2)c(CC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCc1c(-c2ccccc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The InChIKey is ISEXWJJPIXOVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N4O.C41H38N4O.C39H34N4O.C38H32N4O.4Pt/c1-4-6-7-8-12-22-39-42(31-16-10-9-11-17-31)37(5-2)44-46(39)32-18-15-19-33(28-32)47-34-23-24-36-35-20-13-14-21-38(35)45(40(36)29-34)41-27-30(3)25-26-43-41;1-4-6-7-11-21-38-41(30-15-9-8-10-16-30)36(5-2)43-45(38)31-17-14-18-32(27-31)46-33-22-23-35-34-19-12-13-20-37(34)44(39(35)28-33)40-26-29(3)24-25-42-40;1-4-6-18-36-39(28-13-8-7-9-14-28)34(5-2)41-43(36)29-15-12-16-30(25-29)44-31-20-21-33-32-17-10-11-19-35(32)42(37(33)26-31)38-24-27(3)22-23-40-38;1-5-33-37(27-12-7-6-8-13-27)38(25(2)3)40-42(33)28-14-11-15-29(23-28)43-30-18-19-32-31-16-9-10-17-34(31)41(35(32)24-30)36-22-26(4)20-21-39-36;;;;/h9-11,13-21,23-27H,4-8,12,22H2,1-3H3;8-10,12-20,22-26H,4-7,11,21H2,1-3H3;7-17,19-24H,4-6,18H2,1-3H3;6-22,25H,5H2,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) has a molecular weight of 3135.33 g/mol, XLogP of 40.27, 39 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-butyl-3-ethyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-heptyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(3-ethyl-5-hexyl-4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-(5-ethyl-4-phenyl-3-propan-2-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 157180170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).