2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))

C174H135N15O12Pt6 — CID 157277091

IUPAC2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ccc(-c7c(C(C)C)cccc7C(C)C)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)nc1.Cc1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C)c(-c7ccc(CC(C)C)cc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccc(CC(C)C)cc1.Cc1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C)c(-c7ccccc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C62H53N5O4.C60H49N5O4.C52H33N5O4.6Pt/c1-38(2)50-18-11-19-51(39(3)4)60(50)42-22-28-58(65-36-42)70-46-16-9-14-44(32-46)68-48-24-26-54-55-27-25-49(35-57(55)67(56(54)34-48)62-63-30-13-31-64-62)69-45-15-10-17-47(33-45)71-59-29-23-43(37-66-59)61-52(40(5)6)20-12-21-53(61)41(7)8;1-38(2)28-42-14-18-44(19-15-42)54-36-63-58(30-40(54)5)68-48-12-7-10-46(32-48)66-50-22-24-52-53-25-23-51(35-57(53)65(56(52)34-50)60-61-26-9-27-62-60)67-47-11-8-13-49(33-47)69-59-31-41(6)55(37-64-59)45-20-16-43(17-21-45)29-39(3)4;1-34-26-50(55-32-46(34)36-12-5-3-6-13-36)60-40-18-9-16-38(28-40)58-42-20-22-44-45-23-21-43(31-49(45)57(48(44)30-42)52-53-24-11-25-54-52)59-39-17-10-19-41(29-39)61-51-27-35(2)47(33-56-51)37-14-7-4-8-15-37;;;;;;/h9-31,36-41H,1-8H3;7-27,30-31,36-39H,28-29H2,1-6H3;3-27,32-33H,1-2H3;;;;;;/q3*-4;6*+2
InChIKeyLXMSUINHQVHMDS-UHFFFAOYSA-N
MW3798.55 g/mol
LogP44.31
Rot. Bonds41

About 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))

2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)) (PubChem CID 157277091) has the molecular formula C174H135N15O12Pt6 and a molecular weight of 3798.55 g/mol. Its IUPAC name is 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)).

Molecular Properties

Compound Name2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))
PubChem CID157277091
Molecular FormulaC174H135N15O12Pt6
Molecular Weight3798.55 g/mol
Exact Mass3795.83
IUPAC Name2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ccc(-c7c(C(C)C)cccc7C(C)C)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)nc1.Cc1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C)c(-c7ccc(CC(C)C)cc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccc(CC(C)C)cc1.Cc1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C)c(-c7ccccc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C62H53N5O4.C60H49N5O4.C52H33N5O4.6Pt/c1-38(2)50-18-11-19-51(39(3)4)60(50)42-22-28-58(65-36-42)70-46-16-9-14-44(32-46)68-48-24-26-54-55-27-25-49(35-57(55)67(56(54)34-48)62-63-30-13-31-64-62)69-45-15-10-17-47(33-45)71-59-29-23-43(37-66-59)61-52(40(5)6)20-12-21-53(61)41(7)8;1-38(2)28-42-14-18-44(19-15-42)54-36-63-58(30-40(54)5)68-48-12-7-10-46(32-48)66-50-22-24-52-53-25-23-51(35-57(53)65(56(52)34-50)60-61-26-9-27-62-60)67-47-11-8-13-49(33-47)69-59-31-41(6)55(37-64-59)45-20-16-43(17-21-45)29-39(3)4;1-34-26-50(55-32-46(34)36-12-5-3-6-13-36)60-40-18-9-16-38(28-40)58-42-20-22-44-45-23-21-43(31-49(45)57(48(44)30-42)52-53-24-11-25-54-52)59-39-17-10-19-41(29-39)61-51-27-35(2)47(33-56-51)37-14-7-4-8-15-37;;;;;;/h9-31,36-41H,1-8H3;7-27,30-31,36-39H,28-29H2,1-6H3;3-27,32-33H,1-2H3;;;;;;/q3*-4;6*+2
InChIKeyLXMSUINHQVHMDS-UHFFFAOYSA-N
XLogP44.31
TPSA280.23 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003798.55
LogP ≤ 544.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))?
The IUPAC name of 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)) (CID 157277091) is 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)).
What is the SMILES notation for 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))?
The canonical SMILES for 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)) is CC(C)c1cccc(C(C)C)c1-c1ccc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6ccc(-c7c(C(C)C)cccc7C(C)C)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)nc1.Cc1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C)c(-c7ccc(CC(C)C)cc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccc(CC(C)C)cc1.Cc1cc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(Oc6cc(C)c(-c7ccccc7)cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)ncc1-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))?
The InChIKey is LXMSUINHQVHMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53N5O4.C60H49N5O4.C52H33N5O4.6Pt/c1-38(2)50-18-11-19-51(39(3)4)60(50)42-22-28-58(65-36-42)70-46-16-9-14-44(32-46)68-48-24-26-54-55-27-25-49(35-57(55)67(56(54)34-48)62-63-30-13-31-64-62)69-45-15-10-17-47(33-45)71-59-29-23-43(37-66-59)61-52(40(5)6)20-12-21-53(61)41(7)8;1-38(2)28-42-14-18-44(19-15-42)54-36-63-58(30-40(54)5)68-48-12-7-10-46(32-48)66-50-22-24-52-53-25-23-51(35-57(53)65(56(52)34-50)60-61-26-9-27-62-60)67-47-11-8-13-49(33-47)69-59-31-41(6)55(37-64-59)45-20-16-43(17-21-45)29-39(3)4;1-34-26-50(55-32-46(34)36-12-5-3-6-13-36)60-40-18-9-16-38(28-40)58-42-20-22-44-45-23-21-43(31-49(45)57(48(44)30-42)52-53-24-11-25-54-52)59-39-17-10-19-41(29-39)61-51-27-35(2)47(33-56-51)37-14-7-4-8-15-37;;;;;;/h9-31,36-41H,1-8H3;7-27,30-31,36-39H,28-29H2,1-6H3;3-27,32-33H,1-2H3;;;;;;/q3*-4;6*+2.
What are the key properties of 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+))?
2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)) has a molecular weight of 3798.55 g/mol, XLogP of 44.31, 41 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[3-[[5-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[[4-methyl-5-[4-(2-methylpropyl)phenyl]-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-methyl-5-phenyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;hexakis(platinum(2+)) is sourced from PubChem (CID 157277091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).