9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))

C223H146B4N32O10P2Pd5Pt5 — CID 157142456

IUPAC9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))
SMILESCB(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(B(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nccnn1.CC(C)(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(C(C)(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nnc2ccccc2n1.CP(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(P(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nccnn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1B(c1[c-]c2c(cc1)c1ccc(B(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)[c-]c1n2-c1nccnn1)c1ccccc1.[c-]1c(Oc2ccccn2)cccc1N(c1[c-]c2c(cc1)c1ccc(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)[c-]c1n2-c1nccnn1)c1ccccc1
InChIInChI=1S/C49H30B2N6O2.C49H30N8O2.C47H34N6O2.C39H26B2N6O2.C39H26N6O2P2.5Pd.5Pt/c1-3-13-35(14-4-1)50(37-17-11-19-41(31-37)58-47-21-7-9-27-52-47)39-23-25-43-44-26-24-40(34-46(44)57(45(43)33-39)49-54-29-30-55-56-49)51(36-15-5-2-6-16-36)38-18-12-20-42(32-38)59-48-22-8-10-28-53-48;1-3-13-35(14-4-1)55(37-17-11-19-41(31-37)58-47-21-7-9-27-50-47)39-23-25-43-44-26-24-40(34-46(44)57(45(43)33-39)49-52-29-30-53-54-49)56(36-15-5-2-6-16-36)38-18-12-20-42(32-38)59-48-22-8-10-28-51-48;1-46(2,31-13-11-15-35(27-31)54-43-19-7-9-25-48-43)33-21-23-37-38-24-22-34(47(3,4)32-14-12-16-36(28-32)55-44-20-8-10-26-49-44)30-42(38)53(41(37)29-33)45-50-39-17-5-6-18-40(39)51-52-45;1-40(27-9-7-11-31(23-27)48-37-13-3-5-19-42-37)29-15-17-33-34-18-16-30(26-36(34)47(35(33)25-29)39-44-21-22-45-46-39)41(2)28-10-8-12-32(24-28)49-38-14-4-6-20-43-38;1-48(29-11-7-9-27(23-29)46-37-13-3-5-19-40-37)31-15-17-33-34-18-16-32(26-36(34)45(35(33)25-31)39-42-21-22-43-44-39)49(2)30-12-8-10-28(24-30)47-38-14-4-6-20-41-38;;;;;;;;;;/h2*1-30H;5-26H,1-4H3;2*3-22H,1-2H3;;;;;;;;;;/q5*-4;10*+2
InChIKeyVDUUWXWECKUYDY-UHFFFAOYSA-N
MW5046.52 g/mol
LogP39.07
Rot. Bonds49

About 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))

9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)) (PubChem CID 157142456) has the molecular formula C223H146B4N32O10P2Pd5Pt5 and a molecular weight of 5046.52 g/mol. Its IUPAC name is 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)).

Molecular Properties

Compound Name9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))
PubChem CID157142456
Molecular FormulaC223H146B4N32O10P2Pd5Pt5
Molecular Weight5046.52 g/mol
Exact Mass5041.52
IUPAC Name9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))
SMILESCB(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(B(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nccnn1.CC(C)(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(C(C)(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nnc2ccccc2n1.CP(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(P(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nccnn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1B(c1[c-]c2c(cc1)c1ccc(B(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)[c-]c1n2-c1nccnn1)c1ccccc1.[c-]1c(Oc2ccccn2)cccc1N(c1[c-]c2c(cc1)c1ccc(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)[c-]c1n2-c1nccnn1)c1ccccc1
InChIInChI=1S/C49H30B2N6O2.C49H30N8O2.C47H34N6O2.C39H26B2N6O2.C39H26N6O2P2.5Pd.5Pt/c1-3-13-35(14-4-1)50(37-17-11-19-41(31-37)58-47-21-7-9-27-52-47)39-23-25-43-44-26-24-40(34-46(44)57(45(43)33-39)49-54-29-30-55-56-49)51(36-15-5-2-6-16-36)38-18-12-20-42(32-38)59-48-22-8-10-28-53-48;1-3-13-35(14-4-1)55(37-17-11-19-41(31-37)58-47-21-7-9-27-50-47)39-23-25-43-44-26-24-40(34-46(44)57(45(43)33-39)49-52-29-30-53-54-49)56(36-15-5-2-6-16-36)38-18-12-20-42(32-38)59-48-22-8-10-28-51-48;1-46(2,31-13-11-15-35(27-31)54-43-19-7-9-25-48-43)33-21-23-37-38-24-22-34(47(3,4)32-14-12-16-36(28-32)55-44-20-8-10-26-49-44)30-42(38)53(41(37)29-33)45-50-39-17-5-6-18-40(39)51-52-45;1-40(27-9-7-11-31(23-27)48-37-13-3-5-19-42-37)29-15-17-33-34-18-16-30(26-36(34)47(35(33)25-29)39-44-21-22-45-46-39)41(2)28-10-8-12-32(24-28)49-38-14-4-6-20-43-38;1-48(29-11-7-9-27(23-29)46-37-13-3-5-19-40-37)31-15-17-33-34-18-16-32(26-36(34)45(35(33)25-31)39-42-21-22-43-44-39)49(2)30-12-8-10-28(24-30)47-38-14-4-6-20-41-38;;;;;;;;;;/h2*1-30H;5-26H,1-4H3;2*3-22H,1-2H3;;;;;;;;;;/q5*-4;10*+2
InChIKeyVDUUWXWECKUYDY-UHFFFAOYSA-N
XLogP39.07
TPSA445.68 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms281
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005046.52
LogP ≤ 539.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))?
The IUPAC name of 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)) (CID 157142456) is 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)).
What is the SMILES notation for 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))?
The canonical SMILES for 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)) is CB(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(B(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nccnn1.CC(C)(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(C(C)(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nnc2ccccc2n1.CP(c1[c-]c(Oc2ccccn2)ccc1)c1[c-]c2c(cc1)c1ccc(P(C)c3[c-]c(Oc4ccccn4)ccc3)[c-]c1n2-c1nccnn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1B(c1[c-]c2c(cc1)c1ccc(B(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)[c-]c1n2-c1nccnn1)c1ccccc1.[c-]1c(Oc2ccccn2)cccc1N(c1[c-]c2c(cc1)c1ccc(N(c3[c-]c(Oc4ccccn4)ccc3)c3ccccc3)[c-]c1n2-c1nccnn1)c1ccccc1.
What is the InChIKey of 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))?
The InChIKey is VDUUWXWECKUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30B2N6O2.C49H30N8O2.C47H34N6O2.C39H26B2N6O2.C39H26N6O2P2.5Pd.5Pt/c1-3-13-35(14-4-1)50(37-17-11-19-41(31-37)58-47-21-7-9-27-52-47)39-23-25-43-44-26-24-40(34-46(44)57(45(43)33-39)49-54-29-30-55-56-49)51(36-15-5-2-6-16-36)38-18-12-20-42(32-38)59-48-22-8-10-28-53-48;1-3-13-35(14-4-1)55(37-17-11-19-41(31-37)58-47-21-7-9-27-50-47)39-23-25-43-44-26-24-40(34-46(44)57(45(43)33-39)49-52-29-30-53-54-49)56(36-15-5-2-6-16-36)38-18-12-20-42(32-38)59-48-22-8-10-28-51-48;1-46(2,31-13-11-15-35(27-31)54-43-19-7-9-25-48-43)33-21-23-37-38-24-22-34(47(3,4)32-14-12-16-36(28-32)55-44-20-8-10-26-49-44)30-42(38)53(41(37)29-33)45-50-39-17-5-6-18-40(39)51-52-45;1-40(27-9-7-11-31(23-27)48-37-13-3-5-19-42-37)29-15-17-33-34-18-16-30(26-36(34)47(35(33)25-29)39-44-21-22-45-46-39)41(2)28-10-8-12-32(24-28)49-38-14-4-6-20-43-38;1-48(29-11-7-9-27(23-29)46-37-13-3-5-19-40-37)31-15-17-33-34-18-16-32(26-36(34)45(35(33)25-31)39-42-21-22-43-44-39)49(2)30-12-8-10-28(24-30)47-38-14-4-6-20-41-38;;;;;;;;;;/h2*1-30H;5-26H,1-4H3;2*3-22H,1-2H3;;;;;;;;;;/q5*-4;10*+2.
What are the key properties of 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+))?
9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)) has a molecular weight of 5046.52 g/mol, XLogP of 39.07, 49 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2,4-benzotriazin-3-yl)-2,7-bis[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]-1,8-dihydrocarbazole-1,8-diide;2-N,7-N-diphenyl-2-N,7-N-bis(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diide-2,7-diamine;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;methyl-[7-[methyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphanyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)phosphane;pentakis(palladium(2+));phenyl-[7-[phenyl-(3-pyridin-2-yloxybenzene-2-id-1-yl)boranyl]-9-(1,2,4-triazin-3-yl)-1,8-dihydrocarbazole-1,8-diid-2-yl]-(3-pyridin-2-yloxybenzene-2-id-1-yl)borane;pentakis(platinum(2+)) is sourced from PubChem (CID 157142456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).