2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))

C165H142N16Pt4 — CID 160822723

IUPAC2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCCCCC(CCCC)(c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c(-n2nc(C)cc2C)ccc1)c1ccccn1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C(c5ccccc5)c5ccccn5)ccc4c4ccccc43)ccc2)n1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C5(c6ccccn6)c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)ccc4c4ccccc43)ccc2)n1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C5(c6ccccn6)c6ccccc6C(C)(C)c6ccccc65)ccc4c4ccccc43)ccc2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C49H44N4.C44H34N4.C37H38N4.C35H26N4.4Pt/c1-31-26-32(2)53(51-31)37-15-13-14-36(30-37)52-44-17-10-9-16-40(44)41-24-21-35(29-45(41)52)49(46-18-11-12-25-50-46)42-27-33(47(3,4)5)19-22-38(42)39-23-20-34(28-43(39)49)48(6,7)8;1-29-26-30(2)48(46-29)33-15-13-14-32(28-33)47-40-21-10-5-16-34(40)35-24-23-31(27-41(35)47)44(42-22-11-12-25-45-42)38-19-8-6-17-36(38)43(3,4)37-18-7-9-20-39(37)44;1-5-7-21-37(22-8-6-2,36-18-11-12-23-38-36)29-19-20-33-32-16-9-10-17-34(32)40(35(33)25-29)30-14-13-15-31(26-30)41-28(4)24-27(3)39-41;1-24-21-25(2)39(37-24)29-14-10-13-28(23-29)38-33-17-7-6-15-30(33)31-19-18-27(22-34(31)38)35(26-11-4-3-5-12-26)32-16-8-9-20-36-32;;;;/h9-28H,1-8H3;5-26H,1-4H3;9-20,23-24H,5-8,21-22H2,1-4H3;3-21,35H,1-2H3;;;;/q4*-2;4*+2
InChIKeyFXNHWFJMSYBTLT-UHFFFAOYSA-N
MW3129.37 g/mol
LogP38.14
Rot. Bonds23

About 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))

2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 160822723) has the molecular formula C165H142N16Pt4 and a molecular weight of 3129.37 g/mol. Its IUPAC name is 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
PubChem CID160822723
Molecular FormulaC165H142N16Pt4
Molecular Weight3129.37 g/mol
Exact Mass3127.02
IUPAC Name2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCCCCC(CCCC)(c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c(-n2nc(C)cc2C)ccc1)c1ccccn1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C(c5ccccc5)c5ccccn5)ccc4c4ccccc43)ccc2)n1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C5(c6ccccn6)c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)ccc4c4ccccc43)ccc2)n1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C5(c6ccccn6)c6ccccc6C(C)(C)c6ccccc65)ccc4c4ccccc43)ccc2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C49H44N4.C44H34N4.C37H38N4.C35H26N4.4Pt/c1-31-26-32(2)53(51-31)37-15-13-14-36(30-37)52-44-17-10-9-16-40(44)41-24-21-35(29-45(41)52)49(46-18-11-12-25-50-46)42-27-33(47(3,4)5)19-22-38(42)39-23-20-34(28-43(39)49)48(6,7)8;1-29-26-30(2)48(46-29)33-15-13-14-32(28-33)47-40-21-10-5-16-34(40)35-24-23-31(27-41(35)47)44(42-22-11-12-25-45-42)38-19-8-6-17-36(38)43(3,4)37-18-7-9-20-39(37)44;1-5-7-21-37(22-8-6-2,36-18-11-12-23-38-36)29-19-20-33-32-16-9-10-17-34(32)40(35(33)25-29)30-14-13-15-31(26-30)41-28(4)24-27(3)39-41;1-24-21-25(2)39(37-24)29-14-10-13-28(23-29)38-33-17-7-6-15-30(33)31-19-18-27(22-34(31)38)35(26-11-4-3-5-12-26)32-16-8-9-20-36-32;;;;/h9-28H,1-8H3;5-26H,1-4H3;9-20,23-24H,5-8,21-22H2,1-4H3;3-21,35H,1-2H3;;;;/q4*-2;4*+2
InChIKeyFXNHWFJMSYBTLT-UHFFFAOYSA-N
XLogP38.14
TPSA142.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms185
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003129.37
LogP ≤ 538.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The IUPAC name of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) (CID 160822723) is 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The canonical SMILES for 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) is CCCCC(CCCC)(c1[c-]c2c(cc1)c1ccccc1n2-c1[c-]c(-n2nc(C)cc2C)ccc1)c1ccccn1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C(c5ccccc5)c5ccccn5)ccc4c4ccccc43)ccc2)n1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C5(c6ccccn6)c6cc(C(C)(C)C)ccc6-c6ccc(C(C)(C)C)cc65)ccc4c4ccccc43)ccc2)n1.Cc1cc(C)n(-c2[c-]c(-n3c4[c-]c(C5(c6ccccn6)c6ccccc6C(C)(C)c6ccccc65)ccc4c4ccccc43)ccc2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The InChIKey is FXNHWFJMSYBTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N4.C44H34N4.C37H38N4.C35H26N4.4Pt/c1-31-26-32(2)53(51-31)37-15-13-14-36(30-37)52-44-17-10-9-16-40(44)41-24-21-35(29-45(41)52)49(46-18-11-12-25-50-46)42-27-33(47(3,4)5)19-22-38(42)39-23-20-34(28-43(39)49)48(6,7)8;1-29-26-30(2)48(46-29)33-15-13-14-32(28-33)47-40-21-10-5-16-34(40)35-24-23-31(27-41(35)47)44(42-22-11-12-25-45-42)38-19-8-6-17-36(38)43(3,4)37-18-7-9-20-39(37)44;1-5-7-21-37(22-8-6-2,36-18-11-12-23-38-36)29-19-20-33-32-16-9-10-17-34(32)40(35(33)25-29)30-14-13-15-31(26-30)41-28(4)24-27(3)39-41;1-24-21-25(2)39(37-24)29-14-10-13-28(23-29)38-33-17-7-6-15-30(33)31-19-18-27(22-34(31)38)35(26-11-4-3-5-12-26)32-16-8-9-20-36-32;;;;/h9-28H,1-8H3;5-26H,1-4H3;9-20,23-24H,5-8,21-22H2,1-4H3;3-21,35H,1-2H3;;;;/q4*-2;4*+2.
What are the key properties of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+))?
2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) has a molecular weight of 3129.37 g/mol, XLogP of 38.14, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-[phenyl(pyridin-2-yl)methyl]-1H-carbazol-1-ide;9-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-2-(5-pyridin-2-ylnonan-5-yl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 160822723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).