2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane

C165H114AlIrN12O5S- — CID 157248560

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane
SMILESCC(=O)C=C(C)O.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2nc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3n2-c2ccccc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C45H30N2.C43H28N2.C32H22N4.C13H8NS.3C9H7NO.C5H8O2.Al.Ir/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36;1-3-14-30(15-4-1)43-44-39-26-25-33(28-40(39)45(43)34-17-5-2-6-18-34)42-37-21-11-9-19-35(37)41(36-20-10-12-22-38(36)42)32-24-23-29-13-7-8-16-31(29)27-32;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(6)3-5(2)7;;/h1-30H;1-28H;3-18H,1-2H3;1-8H;3*1-6,11H;3,6H,1-2H3;;/q;;;-1;;;;;+3;/p-3
InChIKeyFBPLNIMIHMRBFT-UHFFFAOYSA-K
MW2596.07 g/mol
LogP41.97
Rot. Bonds19

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane (PubChem CID 157248560) has the molecular formula C165H114AlIrN12O5S- and a molecular weight of 2596.07 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane
PubChem CID157248560
Molecular FormulaC165H114AlIrN12O5S-
Molecular Weight2596.07 g/mol
Exact Mass2594.82
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane
SMILESCC(=O)C=C(C)O.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2nc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3n2-c2ccccc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C45H30N2.C43H28N2.C32H22N4.C13H8NS.3C9H7NO.C5H8O2.Al.Ir/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36;1-3-14-30(15-4-1)43-44-39-26-25-33(28-40(39)45(43)34-17-5-2-6-18-34)42-37-21-11-9-19-35(37)41(36-20-10-12-22-38(36)42)32-24-23-29-13-7-8-16-31(29)27-32;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(6)3-5(2)7;;/h1-30H;1-28H;3-18H,1-2H3;1-8H;3*1-6,11H;3,6H,1-2H3;;/q;;;-1;;;;;+3;/p-3
InChIKeyFBPLNIMIHMRBFT-UHFFFAOYSA-K
XLogP41.97
TPSA203.75 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002596.07
LogP ≤ 541.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-anthracen-9-yl-2H-naphthalen-2-id-1-yl)pyridine;1-(3H-1-benzothiophen-3-id-2-yl)-4-naphthalen-1-ylisoquinoline;tetrakis(4-hydroxypent-3-en-2-one);2-(3-methyl-4-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;2-methyl-6-[2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;bis(2-(4-naphthalen-1-yl-2H-naphthalen-2-id-1-yl)-1-phenylimidazole);platinum;bis(platinum(2+));9-[10-(4-pyridin-2-ylbenzene-5-id-1-yl)anthracen-9-yl]carbazole;2-[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine
CID 157709218
4-N,4-N-bis[2,5-dimethyl-4-(N-(3-methylphenyl)anilino)phenyl]-2,5-dimethyl-1-N-(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
CID 158788116
CID 161462532
CID 161462532
CID 161912323
CID 161912323
2-(4-Anthracen-2-ylphenyl)-1-phenylbenzimidazole;2-[4-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole;naphthalene;1-[4-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole;tetrakis(quinolin-8-ol);tri(quinolin-8-yloxy)alumane;zirconium
CID 157077777
CID 157141096
CID 157141096
CID 157207420
CID 157207420
CID 157321007
CID 157321007
2,4-ditert-butyl-6-[1-naphthalen-1-yl-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenyl-6-propan-2-ylphenyl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 157408422
2-[2-(5-Tert-butylindol-1-id-7-yl)-1-(3,5-dimethylphenyl)benzimidazol-4-yl]quinolin-8-ol;2-[2-(5-tert-butylindol-1-id-7-yl)-1-phenylbenzimidazol-4-yl]-4-(3,5-dimethylphenyl)quinolin-8-ol;2-[2-(5-tert-butylindol-1-id-7-yl)-1-phenylbenzimidazol-4-yl]-4-phenylquinolin-8-ol;2-[2-(5-tert-butylindol-1-id-7-yl)-1-phenylbenzimidazol-4-yl]quinolin-8-ol;2-[2-(5-tert-butylindol-1-id-7-yl)-1-(3-phenylphenyl)benzimidazol-4-yl]quinolin-8-ol;ethane;platinum
CID 157417015
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylgermylphenyl)pyrene-1,6-diamine;2-N,2-N,6-N,6-N-tetraphenyl-9,10-bis[3-(5-phenylthiophen-2-yl)phenyl]anthracene-2,6-diamine;tri(quinolin-8-yloxy)alumane
CID 157464454
CID 157466967
CID 157466967

Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane (CID 157248560) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane is CC(=O)C=C(C)O.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Ir].[c-]1c(-c2ccccn2)sc2ccccc12.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2nc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3n2-c2ccccc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane?
The InChIKey is FBPLNIMIHMRBFT-UHFFFAOYSA-K. The full InChI is InChI=1S/C45H30N2.C43H28N2.C32H22N4.C13H8NS.3C9H7NO.C5H8O2.Al.Ir/c1-4-14-32(15-5-1)43-37-20-10-11-21-38(37)44(33-16-6-2-7-17-33)40-30-35(28-29-39(40)43)31-24-26-34(27-25-31)45-46-41-22-12-13-23-42(41)47(45)36-18-8-3-9-19-36;1-3-14-30(15-4-1)43-44-39-26-25-33(28-40(39)45(43)34-17-5-2-6-18-34)42-37-21-11-9-19-35(37)41(36-20-10-12-22-38(36)42)32-24-23-29-13-7-8-16-31(29)27-32;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;3*11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(6)3-5(2)7;;/h1-30H;1-28H;3-18H,1-2H3;1-8H;3*1-6,11H;3,6H,1-2H3;;/q;;;-1;;;;;+3;/p-3.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane has a molecular weight of 2596.07 g/mol, XLogP of 41.97, 19 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;4-hydroxypent-3-en-2-one;iridium;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenylbenzimidazole;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157248560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).