9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine

C134H122Ir3N7O6S-3 — CID 157054590

IUPAC9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)Cc1cc(-c2[c-]cccc2)nc2ccccc12.CC(C)Cc1cnc(-c2[c-]cccc2)c2ccccc12.CC(C)c1ccnc(-c2[c-]cc(C(C)C)s2)c1.[Ir].[Ir].[Ir].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H24N2.C30H20N2.2C19H18N.C15H18NS.3C5H8O2.3Ir/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-14(2)12-16-13-20-19(15-8-4-3-5-9-15)18-11-7-6-10-17(16)18;1-14(2)12-16-13-19(15-8-4-3-5-9-15)20-18-11-7-6-10-17(16)18;1-10(2)12-7-8-16-13(9-12)15-6-5-14(17-15)11(3)4;3*1-4(6)3-5(2)7;;;/h1-24H;1-20H;2*3-8,10-11,13-14H,12H2,1-2H3;5,7-11H,1-4H3;3*3,6H,1-2H3;;;/q;;3*-1;;;;;;
InChIKeyKBNGESUWVZWNBJ-UHFFFAOYSA-N
MW2535.21 g/mol
LogP35.19
Rot. Bonds17

About 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine

9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine (PubChem CID 157054590) has the molecular formula C134H122Ir3N7O6S-3 and a molecular weight of 2535.21 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine
PubChem CID157054590
Molecular FormulaC134H122Ir3N7O6S-3
Molecular Weight2535.21 g/mol
Exact Mass2535.81
IUPAC Name9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)Cc1cc(-c2[c-]cccc2)nc2ccccc12.CC(C)Cc1cnc(-c2[c-]cccc2)c2ccccc12.CC(C)c1ccnc(-c2[c-]cc(C(C)C)s2)c1.[Ir].[Ir].[Ir].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H24N2.C30H20N2.2C19H18N.C15H18NS.3C5H8O2.3Ir/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-14(2)12-16-13-20-19(15-8-4-3-5-9-15)18-11-7-6-10-17(16)18;1-14(2)12-16-13-19(15-8-4-3-5-9-15)20-18-11-7-6-10-17(16)18;1-10(2)12-7-8-16-13(9-12)15-6-5-14(17-15)11(3)4;3*1-4(6)3-5(2)7;;;/h1-24H;1-20H;2*3-8,10-11,13-14H,12H2,1-2H3;5,7-11H,1-4H3;3*3,6H,1-2H3;;;/q;;3*-1;;;;;;
InChIKeyKBNGESUWVZWNBJ-UHFFFAOYSA-N
XLogP35.19
TPSA170.29 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002535.21
LogP ≤ 535.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine with MolForge

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Related Compounds

10H-benzo[h]quinolin-10-ide;3-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline;4-hydroxypent-3-en-2-ylideneoxidanium;tetrakis(iridium);bis(3-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]isoquinoline);2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;3-phenylisoquinoline;2-phenylpyridine
CID 158135256
4-hydroxypent-3-en-2-one;tetrakis(iridium);bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158289935
7,7-dimethyl-1,11-dihydrobenzo[a]phenalene-1,11-diide;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;bis(4-hydroxypent-3-en-2-one);tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 160378747
10H-benzo[h]quinolin-10-ide;2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline;2-(4-fluorobenzene-6-id-1-yl)pyridine;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;tetrakis(iridium);tris(2-[9-methyl-9-(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline);2-phenylpyridine
CID 160990662
Bis(4-hydroxypent-3-en-2-one);hexakis(iridium);bis(1-phenylisoquinoline);2-phenylpyridine;bis(2-phenylquinoline);1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 161161277
4-hydroxypent-3-en-2-one;pentakis(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 161746092
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(3-isoquinolin-1-yl-9-phenyl-2H-carbazol-2-ide)
CID 139253801
bis(9-(9,9-diethyl-7-pyridin-2-yl-6H-fluoren-6-id-2-yl)carbazole);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 139253821
bis(9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[2-[3-[(4-pyridin-2-ylbenzene-5-id-1-yl)methyl]-2-bicyclo[2.2.2]octanyl]ethyl]carbazole);[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58695304
bis(9-[4-(4-carbazol-9-ylphenyl)phenyl]-3-[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]carbazole);[(Z)-4-hydroxypent-3-en-2-ylidene]oxidanium;iridium
CID 58695367
bis(9-[2-(2,4-dimethylbenzene-6-id-1-yl)-4-pyridinyl]carbazole);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59546716
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-[2-(3-phenylbenzene-6-id-1-yl)-4-pyridinyl]carbazole)
CID 59546719

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine (CID 157054590) is 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)Cc1cc(-c2[c-]cccc2)nc2ccccc12.CC(C)Cc1cnc(-c2[c-]cccc2)c2ccccc12.CC(C)c1ccnc(-c2[c-]cc(C(C)C)s2)c1.[Ir].[Ir].[Ir].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is KBNGESUWVZWNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.C30H20N2.2C19H18N.C15H18NS.3C5H8O2.3Ir/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;1-14(2)12-16-13-20-19(15-8-4-3-5-9-15)18-11-7-6-10-17(16)18;1-14(2)12-16-13-19(15-8-4-3-5-9-15)20-18-11-7-6-10-17(16)18;1-10(2)12-7-8-16-13(9-12)15-6-5-14(17-15)11(3)4;3*1-4(6)3-5(2)7;;;/h1-24H;1-20H;2*3-8,10-11,13-14H,12H2,1-2H3;5,7-11H,1-4H3;3*3,6H,1-2H3;;;/q;;3*-1;;;;;;.
What are the key properties of 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine?
9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 2535.21 g/mol, XLogP of 35.19, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;tris(4-hydroxypent-3-en-2-one);tris(iridium);4-(2-methylpropyl)-1-phenylisoquinoline;4-(2-methylpropyl)-2-phenylquinoline;4-propan-2-yl-2-(5-propan-2-yl-3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 157054590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).