9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

C252H154N20O3Pt3-6 — CID 160769531

IUPAC9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
SMILES[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)[c-]c(-n2[c-][n+](-c3ccccc3-c3ccccc3)c3ccccc32)c1.[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)cccc1-n1[c-][n+](-c2ccccc2-c2ccccc2)c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)ccnc1-n1[c-][n+](-c2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C85H51N7O.C84H52N6O.C83H51N7O.3Pt/c1-86-63-50-65(88-55-89(81-38-20-19-37-80(81)88)75-33-15-11-28-68(75)58-26-9-4-10-27-58)52-67(51-63)93-66-42-43-72-74-49-59(62-47-60(56-22-5-2-6-23-56)46-61(48-62)57-24-7-3-8-25-57)40-44-79(74)92(83(72)53-66)84-45-41-64(54-87-84)90-76-34-16-14-31-71(76)73-32-21-39-82(85(73)90)91-77-35-17-12-29-69(77)70-30-13-18-36-78(70)91;1-4-22-56(23-5-1)60-48-61(57-24-6-2-7-25-57)50-62(49-60)59-42-46-78-73(51-59)71-45-44-66(91-65-29-20-28-63(52-65)86-55-87(80-40-19-18-39-79(80)86)74-35-14-10-30-67(74)58-26-8-3-9-27-58)53-82(71)90(78)83-47-43-64(54-85-83)88-75-36-15-13-33-70(75)72-34-21-41-81(84(72)88)89-76-37-16-11-31-68(76)69-32-12-17-38-77(69)89;1-4-21-55(22-5-1)59-47-60(56-23-6-2-7-24-56)49-61(48-59)58-39-43-76-71(50-58)69-42-41-63(91-64-45-46-84-82(52-64)87-54-86(77-36-18-19-37-78(77)87)72-32-14-10-27-65(72)57-25-8-3-9-26-57)51-80(69)90(76)81-44-40-62(53-85-81)88-73-33-15-13-30-68(73)70-31-20-38-79(83(70)88)89-74-34-16-11-28-66(74)67-29-12-17-35-75(67)89;;;/h2-51,54H;1-51,54H;1-50,53H;;;/q3*-2;;;
InChIKeyDDOXWSFGVHBTTN-UHFFFAOYSA-N
MW4095.37 g/mol
LogP61.30
Rot. Bonds33

About 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 160769531) has the molecular formula C252H154N20O3Pt3-6 and a molecular weight of 4095.37 g/mol. Its IUPAC name is 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

Compound Name9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
PubChem CID160769531
Molecular FormulaC252H154N20O3Pt3-6
Molecular Weight4095.37 g/mol
Exact Mass4092.15
IUPAC Name9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
SMILES[C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)[c-]c(-n2[c-][n+](-c3ccccc3-c3ccccc3)c3ccccc32)c1.[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)cccc1-n1[c-][n+](-c2ccccc2-c2ccccc2)c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)ccnc1-n1[c-][n+](-c2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C85H51N7O.C84H52N6O.C83H51N7O.3Pt/c1-86-63-50-65(88-55-89(81-38-20-19-37-80(81)88)75-33-15-11-28-68(75)58-26-9-4-10-27-58)52-67(51-63)93-66-42-43-72-74-49-59(62-47-60(56-22-5-2-6-23-56)46-61(48-62)57-24-7-3-8-25-57)40-44-79(74)92(83(72)53-66)84-45-41-64(54-87-84)90-76-34-16-14-31-71(76)73-32-21-39-82(85(73)90)91-77-35-17-12-29-69(77)70-30-13-18-36-78(70)91;1-4-22-56(23-5-1)60-48-61(57-24-6-2-7-25-57)50-62(49-60)59-42-46-78-73(51-59)71-45-44-66(91-65-29-20-28-63(52-65)86-55-87(80-40-19-18-39-79(80)86)74-35-14-10-30-67(74)58-26-8-3-9-27-58)53-82(71)90(78)83-47-43-64(54-85-83)88-75-36-15-13-33-70(75)72-34-21-41-81(84(72)88)89-76-37-16-11-31-68(76)69-32-12-17-38-77(69)89;1-4-21-55(22-5-1)59-47-60(56-23-6-2-7-24-56)49-61(48-59)58-39-43-76-71(50-58)69-42-41-63(91-64-45-46-84-82(52-64)87-54-86(77-36-18-19-37-78(77)87)72-32-14-10-27-65(72)57-25-8-3-9-26-57)51-80(69)90(76)81-44-40-62(53-85-81)88-73-33-15-13-30-68(73)70-31-20-38-79(83(70)88)89-74-34-16-11-28-66(74)67-29-12-17-35-75(67)89;;;/h2-51,54H;1-51,54H;1-50,53H;;;/q3*-2;;;
InChIKeyDDOXWSFGVHBTTN-UHFFFAOYSA-N
XLogP61.30
TPSA154.41 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004095.37
LogP ≤ 561.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum with MolForge

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Launch Full Analysis

Related Compounds

6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
CID 155657158
10-[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[4-[[9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-1-yl)-1H-carbazol-1-id-2-yl]oxy]-3H-pyridin-3-id-2-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-7-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-3-methyl-6H-pyrido[4,3-b]indol-6-ide;5-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-methyl-7-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-6H-pyrido[4,3-b]indol-6-ide;5-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-3-methyl-7-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-6H-pyrido[4,3-b]indol-6-ide;platinum
CID 159092042
9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-6-phenylcarbazole
CID 155657325
5-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-7-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-3-methylpyrido[4,3-b]indole
CID 155657323
10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-[3-[3-[[6-[3,5-bis(3,5-ditert-butylphenyl)phenyl]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-isocyanobenzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;platinum
CID 161096235
6-carbazol-9-yl-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 171610762
5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum
CID 162460904
2-[[2-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 155657262
2-[3-[3-[2,6-bis(3,5-diphenylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 154594888
2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 176797730
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(1-phenylcarbazol-9-yl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
CID 176797932
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-(3,5-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
CID 165161442

Frequently Asked Questions

What is the IUPAC name of 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?
The IUPAC name of 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (CID 160769531) is 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?
The canonical SMILES for 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is [C-]#[N+]c1cc(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)[c-]c(-n2[c-][n+](-c3ccccc3-c3ccccc3)c3ccccc32)c1.[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)cccc1-n1[c-][n+](-c2ccccc2-c2ccccc2)c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc2n3-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cn2)ccnc1-n1[c-][n+](-c2ccccc2-c2ccccc2)c2ccccc21.
What is the InChIKey of 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?
The InChIKey is DDOXWSFGVHBTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H51N7O.C84H52N6O.C83H51N7O.3Pt/c1-86-63-50-65(88-55-89(81-38-20-19-37-80(81)88)75-33-15-11-28-68(75)58-26-9-4-10-27-58)52-67(51-63)93-66-42-43-72-74-49-59(62-47-60(56-22-5-2-6-23-56)46-61(48-62)57-24-7-3-8-25-57)40-44-79(74)92(83(72)53-66)84-45-41-64(54-87-84)90-76-34-16-14-31-71(76)73-32-21-39-82(85(73)90)91-77-35-17-12-29-69(77)70-30-13-18-36-78(70)91;1-4-22-56(23-5-1)60-48-61(57-24-6-2-7-25-57)50-62(49-60)59-42-46-78-73(51-59)71-45-44-66(91-65-29-20-28-63(52-65)86-55-87(80-40-19-18-39-79(80)86)74-35-14-10-30-67(74)58-26-8-3-9-27-58)53-82(71)90(78)83-47-43-64(54-85-83)88-75-36-15-13-33-70(75)72-34-21-41-81(84(72)88)89-76-37-16-11-31-68(76)69-32-12-17-38-77(69)89;1-4-21-55(22-5-1)59-47-60(56-23-6-2-7-24-56)49-61(48-59)58-39-43-76-71(50-58)69-42-41-63(91-64-45-46-84-82(52-64)87-54-86(77-36-18-19-37-78(77)87)72-32-14-10-27-65(72)57-25-8-3-9-26-57)51-80(69)90(76)81-44-40-62(53-85-81)88-73-33-15-13-30-68(73)70-31-20-38-79(83(70)88)89-74-34-16-11-28-66(74)67-29-12-17-35-75(67)89;;;/h2-51,54H;1-51,54H;1-50,53H;;;/q3*-2;;;.
What are the key properties of 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?
9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 4095.37 g/mol, XLogP of 61.30, 33 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-isocyano-5-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[3-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;9-[5-(1-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-6-(3,5-diphenylphenyl)-2-[[2-[3-(2-phenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]-3H-pyridin-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 160769531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).