6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))

C159H114F12N12O4Pt4 — CID 162014692

IUPAC6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc(Oc2nccc3ccccc23)[c-]c(-c2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc3ccccc3cn2)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4cc(C(C)(C)C)ccn4)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C44H37N3O.C39H27F6N3O.C38H22F3N3O.C38H28F3N3O.4Pt/c1-43(2,3)33-16-18-39-38(26-33)37-17-15-30(23-40(37)47(39)41-24-29-12-7-8-13-31(29)27-46-41)32-21-34(44(4,5)6)25-35(22-32)48-42-36-14-10-9-11-28(36)19-20-45-42;1-22-9-10-33-30(15-22)31-20-32(39(43,44)45)29(21-34(31)48(33)35-19-25(12-14-46-35)37(2,3)4)24-16-26(38(40,41)42)18-27(17-24)49-36-28-8-6-5-7-23(28)11-13-47-36;1-23-10-13-34-33(16-23)32-12-11-26(19-35(32)44(34)36-20-25-7-2-3-8-27(25)22-43-36)28-17-29(38(39,40)41)21-30(18-28)45-37-31-9-5-4-6-24(31)14-15-42-37;1-23-9-12-33-32(15-23)31-11-10-25(18-34(31)44(33)35-19-24-7-5-6-8-26(24)22-43-35)27-16-29(38(39,40)41)20-30(17-27)45-36-21-28(13-14-42-36)37(2,3)4;;;;/h7-21,24-27H,1-6H3;5-16,18-20H,1-4H3;2-17,20-22H,1H3;5-16,19-22H,1-4H3;;;;/q4*-2;4*+2
InChIKeyHLCRKMQSKKKEHV-UHFFFAOYSA-N
MW3265.03 g/mol
LogP43.63
Rot. Bonds16

About 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))

6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 162014692) has the molecular formula C159H114F12N12O4Pt4 and a molecular weight of 3265.03 g/mol. Its IUPAC name is 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)).

Molecular Properties

Compound Name6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))
PubChem CID162014692
Molecular FormulaC159H114F12N12O4Pt4
Molecular Weight3265.03 g/mol
Exact Mass3262.75
IUPAC Name6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc(Oc2nccc3ccccc23)[c-]c(-c2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc3ccccc3cn2)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4cc(C(C)(C)C)ccn4)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C44H37N3O.C39H27F6N3O.C38H22F3N3O.C38H28F3N3O.4Pt/c1-43(2,3)33-16-18-39-38(26-33)37-17-15-30(23-40(37)47(39)41-24-29-12-7-8-13-31(29)27-46-41)32-21-34(44(4,5)6)25-35(22-32)48-42-36-14-10-9-11-28(36)19-20-45-42;1-22-9-10-33-30(15-22)31-20-32(39(43,44)45)29(21-34(31)48(33)35-19-25(12-14-46-35)37(2,3)4)24-16-26(38(40,41)42)18-27(17-24)49-36-28-8-6-5-7-23(28)11-13-47-36;1-23-10-13-34-33(16-23)32-12-11-26(19-35(32)44(34)36-20-25-7-2-3-8-27(25)22-43-36)28-17-29(38(39,40)41)21-30(18-28)45-37-31-9-5-4-6-24(31)14-15-42-37;1-23-9-12-33-32(15-23)31-11-10-25(18-34(31)44(33)35-19-24-7-5-6-8-26(24)22-43-35)27-16-29(38(39,40)41)20-30(17-27)45-36-21-28(13-14-42-36)37(2,3)4;;;;/h7-21,24-27H,1-6H3;5-16,18-20H,1-4H3;2-17,20-22H,1H3;5-16,19-22H,1-4H3;;;;/q4*-2;4*+2
InChIKeyHLCRKMQSKKKEHV-UHFFFAOYSA-N
XLogP43.63
TPSA159.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003265.03
LogP ≤ 543.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The IUPAC name of 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)) (CID 162014692) is 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The canonical SMILES for 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)) is CC(C)(C)c1cc(Oc2nccc3ccccc23)[c-]c(-c2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc3ccccc3cn2)c1.Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4cc(C(C)(C)C)ccn4)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))?
The InChIKey is HLCRKMQSKKKEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N3O.C39H27F6N3O.C38H22F3N3O.C38H28F3N3O.4Pt/c1-43(2,3)33-16-18-39-38(26-33)37-17-15-30(23-40(37)47(39)41-24-29-12-7-8-13-31(29)27-46-41)32-21-34(44(4,5)6)25-35(22-32)48-42-36-14-10-9-11-28(36)19-20-45-42;1-22-9-10-33-30(15-22)31-20-32(39(43,44)45)29(21-34(31)48(33)35-19-25(12-14-46-35)37(2,3)4)24-16-26(38(40,41)42)18-27(17-24)49-36-28-8-6-5-7-23(28)11-13-47-36;1-23-10-13-34-33(16-23)32-12-11-26(19-35(32)44(34)36-20-25-7-2-3-8-27(25)22-43-36)28-17-29(38(39,40)41)21-30(18-28)45-37-31-9-5-4-6-24(31)14-15-42-37;1-23-9-12-33-32(15-23)31-11-10-25(18-34(31)44(33)35-19-24-7-5-6-8-26(24)22-43-35)27-16-29(38(39,40)41)20-30(17-27)45-36-21-28(13-14-42-36)37(2,3)4;;;;/h7-21,24-27H,1-6H3;5-16,18-20H,1-4H3;2-17,20-22H,1H3;5-16,19-22H,1-4H3;;;;/q4*-2;4*+2.
What are the key properties of 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+))?
6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)) has a molecular weight of 3265.03 g/mol, XLogP of 43.63, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(3-tert-butyl-5-isoquinolin-1-yloxybenzene-6-id-1-yl)-9-isoquinolin-3-yl-1H-carbazol-1-ide;9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 162014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).