3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))

C156H88F8N24O16Pt8 — CID 157269971

IUPAC3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))
SMILESCCc1cc2c3cc(CC)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Fc1cc2c3cc(F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)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/C41H28N6O4.2C39H21F3N6O4.C37H18F2N6O4.8Pt/c1-3-27-19-33-34-20-28(4-2)38(49-30-12-10-14-32(22-30)51-40-16-6-8-18-44-40)24-36(34)47(41-45-25-42-26-46-41)35(33)23-37(27)48-29-11-9-13-31(21-29)50-39-15-5-7-17-43-39;2*1-24-16-29-30-19-31(39(40,41)42)35(50-26-9-7-11-28(18-26)52-37-13-3-5-15-45-37)21-33(30)48(38-46-22-43-23-47-38)32(29)20-34(24)49-25-8-6-10-27(17-25)51-36-12-2-4-14-44-36;38-29-17-27-28-18-30(39)34(47-24-8-6-10-26(16-24)49-36-12-2-4-14-42-36)20-32(28)45(37-43-21-40-22-44-37)31(27)19-33(29)46-23-7-5-9-25(15-23)48-35-11-1-3-13-41-35;;;;;;;;/h5-20,25-26H,3-4H2,1-2H3;2*2-16,19,22-23H,1H3;1-14,17-18,21-22H;;;;;;;;/q4*-4;8*+2
InChIKeyMAZCXROEHVUCRE-UHFFFAOYSA-N
MW4267.18 g/mol
LogP36.55
Rot. Bonds38

About 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) (PubChem CID 157269971) has the molecular formula C156H88F8N24O16Pt8 and a molecular weight of 4267.18 g/mol. Its IUPAC name is 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))
PubChem CID157269971
Molecular FormulaC156H88F8N24O16Pt8
Molecular Weight4267.18 g/mol
Exact Mass4264.39
IUPAC Name3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))
SMILESCCc1cc2c3cc(CC)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Fc1cc2c3cc(F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)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/C41H28N6O4.2C39H21F3N6O4.C37H18F2N6O4.8Pt/c1-3-27-19-33-34-20-28(4-2)38(49-30-12-10-14-32(22-30)51-40-16-6-8-18-44-40)24-36(34)47(41-45-25-42-26-46-41)35(33)23-37(27)48-29-11-9-13-31(21-29)50-39-15-5-7-17-43-39;2*1-24-16-29-30-19-31(39(40,41)42)35(50-26-9-7-11-28(18-26)52-37-13-3-5-15-45-37)21-33(30)48(38-46-22-43-23-47-38)32(29)20-34(24)49-25-8-6-10-27(17-25)51-36-12-2-4-14-44-36;38-29-17-27-28-18-30(39)34(47-24-8-6-10-26(16-24)49-36-12-2-4-14-42-36)20-32(28)45(37-43-21-40-22-44-37)31(27)19-33(29)46-23-7-5-9-25(15-23)48-35-11-1-3-13-41-35;;;;;;;;/h5-20,25-26H,3-4H2,1-2H3;2*2-16,19,22-23H,1H3;1-14,17-18,21-22H;;;;;;;;/q4*-4;8*+2
InChIKeyMAZCXROEHVUCRE-UHFFFAOYSA-N
XLogP36.55
TPSA425.20 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004267.18
LogP ≤ 536.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) (CID 157269971) is 3,6-diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) is CCc1cc2c3cc(CC)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)c2[c-]c1Oc1[c-]c(Oc2ccccn2)ccc1.Fc1cc2c3cc(F)c(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c3n(-c3ncncn3)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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))?
The InChIKey is MAZCXROEHVUCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N6O4.2C39H21F3N6O4.C37H18F2N6O4.8Pt/c1-3-27-19-33-34-20-28(4-2)38(49-30-12-10-14-32(22-30)51-40-16-6-8-18-44-40)24-36(34)47(41-45-25-42-26-46-41)35(33)23-37(27)48-29-11-9-13-31(21-29)50-39-15-5-7-17-43-39;2*1-24-16-29-30-19-31(39(40,41)42)35(50-26-9-7-11-28(18-26)52-37-13-3-5-15-45-37)21-33(30)48(38-46-22-43-23-47-38)32(29)20-34(24)49-25-8-6-10-27(17-25)51-36-12-2-4-14-44-36;38-29-17-27-28-18-30(39)34(47-24-8-6-10-26(16-24)49-36-12-2-4-14-42-36)20-32(28)45(37-43-21-40-22-44-37)31(27)19-33(29)46-23-7-5-9-25(15-23)48-35-11-1-3-13-41-35;;;;;;;;/h5-20,25-26H,3-4H2,1-2H3;2*2-16,19,22-23H,1H3;1-14,17-18,21-22H;;;;;;;;/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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) has a molecular weight of 4267.18 g/mol, XLogP of 36.55, 38 rotatable bonds, 0 hydrogen bond donors, and 40 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-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+)) is sourced from PubChem (CID 157269971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).