11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))

C160H110N20O4Pt4 — CID 157423493

IUPAC11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))
SMILESCC(C)(C)c1ccnc2c1c1ccccc1n2-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)nnc32)ccc1.Cc1cccc(C)c1-c1nnc2c3[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)cc(C(C)(C)C)c4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)ccc3c3ccccc3n12.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C43H33N5O.C41H29N5O.C38H23N5O.C38H25N5O.4Pt/c1-26-12-10-13-27(2)39(26)42-46-45-41-36-25-30(19-20-32(36)33-14-6-9-18-38(33)48(41)42)49-31-23-28(43(3,4)5)22-29(24-31)47-37-17-8-7-15-34(37)35-16-11-21-44-40(35)47;1-41(2,3)34-22-23-42-40-37(34)32-17-8-10-19-36(32)45(40)27-14-11-15-28(24-27)47-29-20-21-30-31-16-7-9-18-35(31)46-38(26-12-5-4-6-13-26)43-44-39(46)33(30)25-29;1-24-10-2-3-13-28(24)37-40-41-38-33-23-27(19-20-29(33)30-14-4-7-18-35(30)43(37)38)44-26-12-8-11-25(22-26)42-34-17-6-5-15-31(34)32-16-9-21-39-36(32)42;1-26-12-5-6-17-31(26)37-40-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)43(37)38)44-29-16-11-15-28(24-29)42(27-13-3-2-4-14-27)36-20-9-10-23-39-36;;;;/h6-23H,1-5H3;4-23H,1-3H3;2-21H,1H3;2-23H,1H3;;;;/q4*-2;4*+2
InChIKeyGZITWUSIWVRVMP-UHFFFAOYSA-N
MW3157.09 g/mol
LogP38.54
Rot. Bonds18

About 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))

11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)) (PubChem CID 157423493) has the molecular formula C160H110N20O4Pt4 and a molecular weight of 3157.09 g/mol. Its IUPAC name is 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)).

Molecular Properties

Compound Name11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))
PubChem CID157423493
Molecular FormulaC160H110N20O4Pt4
Molecular Weight3157.09 g/mol
Exact Mass3154.76
IUPAC Name11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))
SMILESCC(C)(C)c1ccnc2c1c1ccccc1n2-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)nnc32)ccc1.Cc1cccc(C)c1-c1nnc2c3[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)cc(C(C)(C)C)c4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)ccc3c3ccccc3n12.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C43H33N5O.C41H29N5O.C38H23N5O.C38H25N5O.4Pt/c1-26-12-10-13-27(2)39(26)42-46-45-41-36-25-30(19-20-32(36)33-14-6-9-18-38(33)48(41)42)49-31-23-28(43(3,4)5)22-29(24-31)47-37-17-8-7-15-34(37)35-16-11-21-44-40(35)47;1-41(2,3)34-22-23-42-40-37(34)32-17-8-10-19-36(32)45(40)27-14-11-15-28(24-27)47-29-20-21-30-31-16-7-9-18-35(31)46-38(26-12-5-4-6-13-26)43-44-39(46)33(30)25-29;1-24-10-2-3-13-28(24)37-40-41-38-33-23-27(19-20-29(33)30-14-4-7-18-35(30)43(37)38)44-26-12-8-11-25(22-26)42-34-17-6-5-15-31(34)32-16-9-21-39-36(32)42;1-26-12-5-6-17-31(26)37-40-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)43(37)38)44-29-16-11-15-28(24-29)42(27-13-3-2-4-14-27)36-20-9-10-23-39-36;;;;/h6-23H,1-5H3;4-23H,1-3H3;2-21H,1H3;2-23H,1H3;;;;/q4*-2;4*+2
InChIKeyGZITWUSIWVRVMP-UHFFFAOYSA-N
XLogP38.54
TPSA227.27 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003157.09
LogP ≤ 538.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))?
The IUPAC name of 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)) (CID 157423493) is 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)).
What is the SMILES notation for 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))?
The canonical SMILES for 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)) is CC(C)(C)c1ccnc2c1c1ccccc1n2-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n2c(-c4ccccc4)nnc32)ccc1.Cc1cccc(C)c1-c1nnc2c3[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)cc(C(C)(C)C)c4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(-n5c6ccccc6c6cccnc65)ccc4)ccc3c3ccccc3n12.Cc1ccccc1-c1nnc2c3[c-]c(Oc4[c-]c(N(c5ccccc5)c5ccccn5)ccc4)ccc3c3ccccc3n12.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))?
The InChIKey is GZITWUSIWVRVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N5O.C41H29N5O.C38H23N5O.C38H25N5O.4Pt/c1-26-12-10-13-27(2)39(26)42-46-45-41-36-25-30(19-20-32(36)33-14-6-9-18-38(33)48(41)42)49-31-23-28(43(3,4)5)22-29(24-31)47-37-17-8-7-15-34(37)35-16-11-21-44-40(35)47;1-41(2,3)34-22-23-42-40-37(34)32-17-8-10-19-36(32)45(40)27-14-11-15-28(24-27)47-29-20-21-30-31-16-7-9-18-35(31)46-38(26-12-5-4-6-13-26)43-44-39(46)33(30)25-29;1-24-10-2-3-13-28(24)37-40-41-38-33-23-27(19-20-29(33)30-14-4-7-18-35(30)43(37)38)44-26-12-8-11-25(22-26)42-34-17-6-5-15-31(34)32-16-9-21-39-36(32)42;1-26-12-5-6-17-31(26)37-40-41-38-34-25-30(21-22-32(34)33-18-7-8-19-35(33)43(37)38)44-29-16-11-15-28(24-29)42(27-13-3-2-4-14-27)36-20-9-10-23-39-36;;;;/h6-23H,1-5H3;4-23H,1-3H3;2-21H,1H3;2-23H,1H3;;;;/q4*-2;4*+2.
What are the key properties of 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+))?
11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)) has a molecular weight of 3157.09 g/mol, XLogP of 38.54, 18 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-tert-butyl-5-pyrido[2,3-b]indol-9-ylbenzene-6-id-1-yl)oxy-3-(2,6-dimethylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;11-[3-(4-tert-butylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxy-3-phenyl-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;3-(2-methylphenyl)-11-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)oxy-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-ide;N-[3-[[3-(2-methylphenyl)-12H-[1,2,4]triazolo[4,3-f]phenanthridin-12-id-11-yl]oxy]benzene-2-id-1-yl]-N-phenylpyridin-2-amine;tetrakis(platinum(2+)) is sourced from PubChem (CID 157423493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).