3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))

C160H92F8N20O16Pt8 — CID 162026224

IUPAC3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))
SMILESCCc1cc2c3cc(CC)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Fc1cc2c3cc(F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C42H29N5O4.2C40H22F3N5O4.C38H19F2N5O4.8Pt/c1-3-28-22-34-35-23-29(4-2)39(49-31-13-10-15-33(25-31)51-41-17-6-8-19-44-41)27-37(35)47(42-45-20-11-21-46-42)36(34)26-38(28)48-30-12-9-14-32(24-30)50-40-16-5-7-18-43-40;2*1-25-19-30-31-22-32(40(41,42)43)36(50-27-10-7-12-29(21-27)52-38-14-3-5-16-45-38)24-34(31)48(39-46-17-8-18-47-39)33(30)23-35(25)49-26-9-6-11-28(20-26)51-37-13-2-4-15-44-37;39-30-20-28-29-21-31(40)35(47-25-9-6-11-27(19-25)49-37-13-2-4-15-42-37)23-33(29)45(38-43-16-7-17-44-38)32(28)22-34(30)46-24-8-5-10-26(18-24)48-36-12-1-3-14-41-36;;;;;;;;/h5-23H,3-4H2,1-2H3;2*2-19,22H,1H3;1-17,20-21H;;;;;;;;/q4*-4;8*+2
InChIKeyTZGALWDLQLZPCV-UHFFFAOYSA-N
MW4263.23 g/mol
LogP38.97
Rot. Bonds38

About 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))

3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) (PubChem CID 162026224) has the molecular formula C160H92F8N20O16Pt8 and a molecular weight of 4263.23 g/mol. Its IUPAC name is 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)).

Molecular Properties

Compound Name3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))
PubChem CID162026224
Molecular FormulaC160H92F8N20O16Pt8
Molecular Weight4263.23 g/mol
Exact Mass4260.41
IUPAC Name3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))
SMILESCCc1cc2c3cc(CC)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Fc1cc2c3cc(F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C42H29N5O4.2C40H22F3N5O4.C38H19F2N5O4.8Pt/c1-3-28-22-34-35-23-29(4-2)39(49-31-13-10-15-33(25-31)51-41-17-6-8-19-44-41)27-37(35)47(42-45-20-11-21-46-42)36(34)26-38(28)48-30-12-9-14-32(24-30)50-40-16-5-7-18-43-40;2*1-25-19-30-31-22-32(40(41,42)43)36(50-27-10-7-12-29(21-27)52-38-14-3-5-16-45-38)24-34(31)48(39-46-17-8-18-47-39)33(30)23-35(25)49-26-9-6-11-28(20-26)51-37-13-2-4-15-44-37;39-30-20-28-29-21-31(40)35(47-25-9-6-11-27(19-25)49-37-13-2-4-15-42-37)23-33(29)45(38-43-16-7-17-44-38)32(28)22-34(30)46-24-8-5-10-26(18-24)48-36-12-1-3-14-41-36;;;;;;;;/h5-23H,3-4H2,1-2H3;2*2-19,22H,1H3;1-17,20-21H;;;;;;;;/q4*-4;8*+2
InChIKeyTZGALWDLQLZPCV-UHFFFAOYSA-N
XLogP38.97
TPSA373.64 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds38
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004263.23
LogP ≤ 538.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))?
The IUPAC name of 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) (CID 162026224) is 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)).
What is the SMILES notation for 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))?
The canonical SMILES for 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) is CCc1cc2c3cc(CC)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Fc1cc2c3cc(F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))?
The InChIKey is TZGALWDLQLZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N5O4.2C40H22F3N5O4.C38H19F2N5O4.8Pt/c1-3-28-22-34-35-23-29(4-2)39(49-31-13-10-15-33(25-31)51-41-17-6-8-19-44-41)27-37(35)47(42-45-20-11-21-46-42)36(34)26-38(28)48-30-12-9-14-32(24-30)50-40-16-5-7-18-43-40;2*1-25-19-30-31-22-32(40(41,42)43)36(50-27-10-7-12-29(21-27)52-38-14-3-5-16-45-38)24-34(31)48(39-46-17-8-18-47-39)33(30)23-35(25)49-26-9-6-11-28(20-26)51-37-13-2-4-15-44-37;39-30-20-28-29-21-31(40)35(47-25-9-6-11-27(19-25)49-37-13-2-4-15-42-37)23-33(29)45(38-43-16-7-17-44-38)32(28)22-34(30)46-24-8-5-10-26(18-24)48-36-12-1-3-14-41-36;;;;;;;;/h5-23H,3-4H2,1-2H3;2*2-19,22H,1H3;1-17,20-21H;;;;;;;;/q4*-4;8*+2.
What are the key properties of 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))?
3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) has a molecular weight of 4263.23 g/mol, XLogP of 38.97, 38 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) is sourced from PubChem (CID 162026224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).