9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole

C122H90Ir5N21O10-5 — CID 158802208

IUPAC9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole
SMILESCc1c[n-]c(-n2c3ccccc3c3cccnc32)c1C.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-n3c4ccccc4c4cccnc43)cc2c1.c1ccc2c(-n3c4ccccc4c4cccnc43)[n-]cc2c1.c1ccc2c(c1)c1cccnc1n2-c1[n-]cc2c1CCCC2.c1ccc2c(c1)c1cccnc1n2-c1cc2ccncc2[n-]1
InChIInChI=1S/C19H12N3.C19H16N3.C19H12N3.C18H11N4.C17H14N3.5C6H5NO2.5Ir/c1-3-9-16-13(6-1)12-18(21-16)22-17-10-4-2-7-14(17)15-8-5-11-20-19(15)22;2*1-2-7-14-13(6-1)12-21-18(14)22-17-10-4-3-8-15(17)16-9-5-11-20-19(16)22;1-2-6-16-13(4-1)14-5-3-8-20-18(14)22(16)17-10-12-7-9-19-11-15(12)21-17;1-11-10-19-16(12(11)2)20-15-8-4-3-6-13(15)14-7-5-9-18-17(14)20;5*8-6(9)5-3-1-2-4-7-5;;;;;/h1-12H;3-5,8-12H,1-2,6-7H2;1-12H;1-11H;3-10H,1-2H3;5*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;;
InChIKeyFLPFAIRBRMIPRJ-UHFFFAOYSA-N
MW2971.28 g/mol
LogP23.92
Rot. Bonds10

About 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole

9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole (PubChem CID 158802208) has the molecular formula C122H90Ir5N21O10-5 and a molecular weight of 2971.28 g/mol. Its IUPAC name is 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole
PubChem CID158802208
Molecular FormulaC122H90Ir5N21O10-5
Molecular Weight2971.28 g/mol
Exact Mass2973.54
IUPAC Name9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole
SMILESCc1c[n-]c(-n2c3ccccc3c3cccnc32)c1C.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-n3c4ccccc4c4cccnc43)cc2c1.c1ccc2c(-n3c4ccccc4c4cccnc43)[n-]cc2c1.c1ccc2c(c1)c1cccnc1n2-c1[n-]cc2c1CCCC2.c1ccc2c(c1)c1cccnc1n2-c1cc2ccncc2[n-]1
InChIInChI=1S/C19H12N3.C19H16N3.C19H12N3.C18H11N4.C17H14N3.5C6H5NO2.5Ir/c1-3-9-16-13(6-1)12-18(21-16)22-17-10-4-2-7-14(17)15-8-5-11-20-19(15)22;2*1-2-7-14-13(6-1)12-21-18(14)22-17-10-4-3-8-15(17)16-9-5-11-20-19(16)22;1-2-6-16-13(4-1)14-5-3-8-20-18(14)22(16)17-10-12-7-9-19-11-15(12)21-17;1-11-10-19-16(12(11)2)20-15-8-4-3-6-13(15)14-7-5-9-18-17(14)20;5*8-6(9)5-3-1-2-4-7-5;;;;;/h1-12H;3-5,8-12H,1-2,6-7H2;1-12H;1-11H;3-10H,1-2H3;5*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;;
InChIKeyFLPFAIRBRMIPRJ-UHFFFAOYSA-N
XLogP23.92
TPSA423.44 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds10
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002971.28
LogP ≤ 523.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole with MolForge

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Related Compounds

CID 153428171
CID 153428171
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
2-[difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;pentadecakis(iridium);bis(2-(1-methyl-3,7-dihydro-2H-inden-7-id-1-yl)pyridine);2-(1-methyl-7H-inden-7-id-1-yl)pyridine;bis(2-(1-phenylcyclopentyl)pyridine);2-(2-phenylethyl)pyridine;2-(3-phenylpentan-3-yl)pyridine;hexakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(pyridine-2-carboxylic acid);2-pyridin-2-ylbenzimidazol-1-ide;2-pyrrol-1-id-2-ylpyridine
CID 157264944
2-[Difluoro(phenyl)methyl]pyridine;3-hydroxy-1,3-diphenylprop-2-en-1-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;2-imidazol-3-id-2-ylpyridine;hexadecakis(iridium);bis(4-methyl-1-phenylisoquinoline);2-(1-phenylcyclopentyl)pyridine;2-(2-phenylethyl)pyridine;bis(2-(phenylmethyl)pyridine);2-(3-phenylpentan-3-yl)pyridine;heptakis(2-(2-phenylpropan-2-yl)pyridine);2-(3-phenylpropyl)pyridine;bis(2-phenylpyridine);pyridine-2-carboxylic acid;2-pyridin-2-ylbenzimidazol-1-ide
CID 157456764
CID 157464434
CID 157464434
1-(3H-furan-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;3-hydroxy-1-phenylbut-2-en-1-one;pentakis(iridium);bis(1-(3H-naphthalen-3-id-2-yl)isoquinoline);4-phenylpteridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)pyridine
CID 157603072
CID 157758504
CID 157758504
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3,5-diphenyl-2-phenylpyrazine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157783484
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluorobenzene-6-id-1-yl)-4-propan-2-ylpyridine;4-hydroxypent-3-en-2-one;hexakis(iridium);2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;3-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157810802
9-(3-carbazol-9-ylphenyl)carbazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3-[6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;iridium;bis(platinum(2+));pyridine-2-carboxylic acid
CID 157918004
CID 157928826
CID 157928826
6-cyclohexyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tris(12H-imidazo[1,2-f]phenanthridin-12-ide);pentakis(iridium);2-(methoxymethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pyridine-2-carboxylic acid;4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 158013725

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole (CID 158802208) is 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole is Cc1c[n-]c(-n2c3ccccc3c3cccnc32)c1C.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].c1ccc2[n-]c(-n3c4ccccc4c4cccnc43)cc2c1.c1ccc2c(-n3c4ccccc4c4cccnc43)[n-]cc2c1.c1ccc2c(c1)c1cccnc1n2-c1[n-]cc2c1CCCC2.c1ccc2c(c1)c1cccnc1n2-c1cc2ccncc2[n-]1.
What is the InChIKey of 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole?
The InChIKey is FLPFAIRBRMIPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N3.C19H16N3.C19H12N3.C18H11N4.C17H14N3.5C6H5NO2.5Ir/c1-3-9-16-13(6-1)12-18(21-16)22-17-10-4-2-7-14(17)15-8-5-11-20-19(15)22;2*1-2-7-14-13(6-1)12-21-18(14)22-17-10-4-3-8-15(17)16-9-5-11-20-19(16)22;1-2-6-16-13(4-1)14-5-3-8-20-18(14)22(16)17-10-12-7-9-19-11-15(12)21-17;1-11-10-19-16(12(11)2)20-15-8-4-3-6-13(15)14-7-5-9-18-17(14)20;5*8-6(9)5-3-1-2-4-7-5;;;;;/h1-12H;3-5,8-12H,1-2,6-7H2;1-12H;1-11H;3-10H,1-2H3;5*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole?
9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole has a molecular weight of 2971.28 g/mol, XLogP of 23.92, 10 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylpyrrol-1-id-2-yl)pyrido[2,3-b]indole;9-indol-1-id-2-ylpyrido[2,3-b]indole;pentakis(iridium);9-isoindol-2-id-1-ylpyrido[2,3-b]indole;pentakis(pyridine-2-carboxylic acid);9-pyrrolo[2,3-c]pyridin-1-id-2-ylpyrido[2,3-b]indole;9-(4,5,6,7-tetrahydroisoindol-2-id-1-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 158802208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).