9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))

C156H96N20O16Pd2Pt2 — CID 157199693

IUPAC9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2cnc(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)c(-n4c5ccc(OC)cc5c5cc(OC)ccc54)cc3)cn2)[c-]c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1cc(C)ccn1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7c8ccc([N+](=O)[O-])cc8c8cc([N+](=O)[O-])ccc87)cc6)cn5)ccc4-n4c5ccc([N+](=O)[O-])cc5c5cc([N+](=O)[O-])ccc54)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pt+2].[Pt+2]
InChIInChI=1S/C80H54N8O6.C76H42N12O10.2Pd.2Pt/c1-47-31-33-81-79(35-47)87-67-13-9-7-11-57(67)59-23-17-55(43-75(59)87)93-77-37-49(15-25-73(77)85-69-27-19-51(89-3)39-61(69)62-40-52(90-4)20-28-70(62)85)65-45-84-66(46-83-65)50-16-26-74(86-71-29-21-53(91-5)41-63(71)64-42-54(92-6)22-30-72(64)86)78(38-50)94-56-18-24-60-58-12-8-10-14-68(58)88(76(60)44-56)80-36-48(2)32-34-82-80;1-43-27-29-77-75(31-43)83-63-9-5-3-7-53(63)55-19-17-51(39-71(55)83)97-73-33-45(11-21-69(73)81-65-23-13-47(85(89)90)35-57(65)58-36-48(86(91)92)14-24-66(58)81)61-41-80-62(42-79-61)46-12-22-70(82-67-25-15-49(87(93)94)37-59(67)60-38-50(88(95)96)16-26-68(60)82)74(34-46)98-52-18-20-56-54-8-4-6-10-64(54)84(72(56)40-52)76-32-44(2)28-30-78-76;;;;/h7-36,39-42,45-46H,1-6H3;3-32,35-38,41-42H,1-2H3;;;;/q2*-4;4*+2
InChIKeyOVWPWICDVIQGQO-UHFFFAOYSA-N
MW3109.60 g/mol
LogP36.44
Rot. Bonds28

About 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))

9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)) (PubChem CID 157199693) has the molecular formula C156H96N20O16Pd2Pt2 and a molecular weight of 3109.60 g/mol. Its IUPAC name is 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)).

Molecular Properties

Compound Name9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))
PubChem CID157199693
Molecular FormulaC156H96N20O16Pd2Pt2
Molecular Weight3109.60 g/mol
Exact Mass3106.47
IUPAC Name9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2cnc(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)c(-n4c5ccc(OC)cc5c5cc(OC)ccc54)cc3)cn2)[c-]c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1cc(C)ccn1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7c8ccc([N+](=O)[O-])cc8c8cc([N+](=O)[O-])ccc87)cc6)cn5)ccc4-n4c5ccc([N+](=O)[O-])cc5c5cc([N+](=O)[O-])ccc54)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pt+2].[Pt+2]
InChIInChI=1S/C80H54N8O6.C76H42N12O10.2Pd.2Pt/c1-47-31-33-81-79(35-47)87-67-13-9-7-11-57(67)59-23-17-55(43-75(59)87)93-77-37-49(15-25-73(77)85-69-27-19-51(89-3)39-61(69)62-40-52(90-4)20-28-70(62)85)65-45-84-66(46-83-65)50-16-26-74(86-71-29-21-53(91-5)41-63(71)64-42-54(92-6)22-30-72(64)86)78(38-50)94-56-18-24-60-58-12-8-10-14-68(58)88(76(60)44-56)80-36-48(2)32-34-82-80;1-43-27-29-77-75(31-43)83-63-9-5-3-7-53(63)55-19-17-51(39-71(55)83)97-73-33-45(11-21-69(73)81-65-23-13-47(85(89)90)35-57(65)58-36-48(86(91)92)14-24-66(58)81)61-41-80-62(42-79-61)46-12-22-70(82-67-25-15-49(87(93)94)37-59(67)60-38-50(88(95)96)16-26-68(60)82)74(34-46)98-52-18-20-56-54-8-4-6-10-64(54)84(72(56)40-52)76-32-44(2)28-30-78-76;;;;/h7-36,39-42,45-46H,1-6H3;3-32,35-38,41-42H,1-2H3;;;;/q2*-4;4*+2
InChIKeyOVWPWICDVIQGQO-UHFFFAOYSA-N
XLogP36.44
TPSA388.96 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003109.60
LogP ≤ 536.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))?
The IUPAC name of 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)) (CID 157199693) is 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)).
What is the SMILES notation for 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))?
The canonical SMILES for 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)) is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(-c2cnc(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)c(-n4c5ccc(OC)cc5c5cc(OC)ccc54)cc3)cn2)[c-]c1Oc1[c-]c2c(cc1)c1ccccc1n2-c1cc(C)ccn1.Cc1ccnc(-n2c3[c-]c(Oc4[c-]c(-c5cnc(-c6[c-]c(Oc7[c-]c8c(cc7)c7ccccc7n8-c7cc(C)ccn7)c(-n7c8ccc([N+](=O)[O-])cc8c8cc([N+](=O)[O-])ccc87)cc6)cn5)ccc4-n4c5ccc([N+](=O)[O-])cc5c5cc([N+](=O)[O-])ccc54)ccc3c3ccccc32)c1.[Pd+2].[Pd+2].[Pt+2].[Pt+2].
What is the InChIKey of 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))?
The InChIKey is OVWPWICDVIQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N8O6.C76H42N12O10.2Pd.2Pt/c1-47-31-33-81-79(35-47)87-67-13-9-7-11-57(67)59-23-17-55(43-75(59)87)93-77-37-49(15-25-73(77)85-69-27-19-51(89-3)39-61(69)62-40-52(90-4)20-28-70(62)85)65-45-84-66(46-83-65)50-16-26-74(86-71-29-21-53(91-5)41-63(71)64-42-54(92-6)22-30-72(64)86)78(38-50)94-56-18-24-60-58-12-8-10-14-68(58)88(76(60)44-56)80-36-48(2)32-34-82-80;1-43-27-29-77-75(31-43)83-63-9-5-3-7-53(63)55-19-17-51(39-71(55)83)97-73-33-45(11-21-69(73)81-65-23-13-47(85(89)90)35-57(65)58-36-48(86(91)92)14-24-66(58)81)61-41-80-62(42-79-61)46-12-22-70(82-67-25-15-49(87(93)94)37-59(67)60-38-50(88(95)96)16-26-68(60)82)74(34-46)98-52-18-20-56-54-8-4-6-10-64(54)84(72(56)40-52)76-32-44(2)28-30-78-76;;;;/h7-36,39-42,45-46H,1-6H3;3-32,35-38,41-42H,1-2H3;;;;/q2*-4;4*+2.
What are the key properties of 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+))?
9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)) has a molecular weight of 3109.60 g/mol, XLogP of 36.44, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[4-(3,6-dimethoxycarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dimethoxycarbazole;9-[4-[5-[4-(3,6-dinitrocarbazol-9-yl)-3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]pyrazin-2-yl]-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-3-id-1-yl]-3,6-dinitrocarbazole;bis(palladium(2+));bis(platinum(2+)) is sourced from PubChem (CID 157199693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).