1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

C144H105Br3IrN6O2-2 — CID 157079551

IUPAC1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2cccc(-c3ccccc3-c3cccc(-c4ccccn4)c3)c2)c1.Brc1cccc(-c2cccc(Br)c2)c1.CC(=O)C=C(C)O.Cc1ccccc1-c1cccc(-c2ccccn2)c1.[Ir].[c-]1ccccc1-c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4ccnc(-c5[c-]cccc5)c4)c3)c2)cn1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccccc5-c5cccc(-c6ccccn6)c5)c4)c3)cc2)nc1
InChIInChI=1S/C40H26N2.C40H28N2.C29H20BrN.C18H15N.C12H8Br2.C5H8O2.Ir/c1-3-11-29(12-4-1)39-22-21-36(28-42-39)33-17-9-15-31(25-33)32-16-10-18-34(26-32)37-19-7-8-20-38(37)35-23-24-41-40(27-35)30-13-5-2-6-14-30;1-2-17-38(35-14-9-15-36(28-35)40-19-4-6-25-42-40)37(16-1)34-13-8-12-33(27-34)32-11-7-10-31(26-32)29-20-22-30(23-21-29)39-18-3-5-24-41-39;30-26-13-7-9-22(20-26)21-8-5-10-23(18-21)27-14-1-2-15-28(27)24-11-6-12-25(19-24)29-16-3-4-17-31-29;1-14-7-2-3-10-17(14)15-8-6-9-16(13-15)18-11-4-5-12-19-18;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-4(6)3-5(2)7;/h1-11,13,15-28H;1-28H;1-20H;2-13H,1H3;1-8H;3,6H,1-2H3;/q-2;;;;;;
InChIKeyQVIRYSSBWKCACA-UHFFFAOYSA-N
MW2383.39 g/mol
LogP39.71
Rot. Bonds20

About 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine

1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 157079551) has the molecular formula C144H105Br3IrN6O2-2 and a molecular weight of 2383.39 g/mol. Its IUPAC name is 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID157079551
Molecular FormulaC144H105Br3IrN6O2-2
Molecular Weight2383.39 g/mol
Exact Mass2379.55
IUPAC Name1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESBrc1cccc(-c2cccc(-c3ccccc3-c3cccc(-c4ccccn4)c3)c2)c1.Brc1cccc(-c2cccc(Br)c2)c1.CC(=O)C=C(C)O.Cc1ccccc1-c1cccc(-c2ccccn2)c1.[Ir].[c-]1ccccc1-c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4ccnc(-c5[c-]cccc5)c4)c3)c2)cn1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccccc5-c5cccc(-c6ccccn6)c5)c4)c3)cc2)nc1
InChIInChI=1S/C40H26N2.C40H28N2.C29H20BrN.C18H15N.C12H8Br2.C5H8O2.Ir/c1-3-11-29(12-4-1)39-22-21-36(28-42-39)33-17-9-15-31(25-33)32-16-10-18-34(26-32)37-19-7-8-20-38(37)35-23-24-41-40(27-35)30-13-5-2-6-14-30;1-2-17-38(35-14-9-15-36(28-35)40-19-4-6-25-42-40)37(16-1)34-13-8-12-33(27-34)32-11-7-10-31(26-32)29-20-22-30(23-21-29)39-18-3-5-24-41-39;30-26-13-7-9-22(20-26)21-8-5-10-23(18-21)27-14-1-2-15-28(27)24-11-6-12-25(19-24)29-16-3-4-17-31-29;1-14-7-2-3-10-17(14)15-8-6-9-16(13-15)18-11-4-5-12-19-18;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-4(6)3-5(2)7;/h1-11,13,15-28H;1-28H;1-20H;2-13H,1H3;1-8H;3,6H,1-2H3;/q-2;;;;;;
InChIKeyQVIRYSSBWKCACA-UHFFFAOYSA-N
XLogP39.71
TPSA114.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002383.39
LogP ≤ 539.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

bis(2-(7-bromo-9,9-dibutyl-3H-fluoren-3-id-2-yl)pyridine);(Z)-4-hydroxypent-3-en-2-one;iridium
CID 139249285
5-[2-[3-Bromo-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine;2-[4-[2-[3-bromo-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine;ethane
CID 145132328
4-Hydroxypent-3-en-2-one;iridium;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 149296201
(Z)-1-[2-[3-[2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]phenyl]-5-[2-(2-bromo-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-hydroxyhex-4-en-3-one;iridium
CID 154588838
bis(4-(4-bromo-2-methylphenyl)-2-phenylpyridine);[(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene]oxidanium;iridium(3-)
CID 155653964
(2-Boronophenyl)boronic acid;2-bromo-5-(2-methylpropyl)pyridine;2-(3-bromophenyl)-5-(2-methylpropyl)pyridine;5-(2-methylpropyl)-2-[3-[2-[3-[5-(2-methylpropyl)-2-pyridinyl]benzene-2-id-1-yl]phenyl]benzene-2-id-1-yl]pyridine;2-[3-[2-[3-[5-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-propan-2-ylpyridine;platinum(2+)
CID 157155237
1-[3-[3,5-Bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]isoquinoline;2-[3-[3,5-bis(4-methylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;tris(iridium);2-(4-octylbenzene-6-id-1-yl)pyridine
CID 157204338
6-Tert-butyl-1-(4-methylbenzene-6-id-1-yl)isoquinoline;6-tert-butyl-1-phenylisoquinoline;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;pentakis(iridium);1-(4-methylbenzene-6-id-1-yl)isoquinoline;bis(1-phenylisoquinoline)
CID 157206824
5-Bromotricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene;bis(iridium);bis(2-phenylpyridine);2-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyridine
CID 157219236
Bis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(2-[4-(2-methylphenyl)benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine)
CID 157248291
5-Bromo-2-(4-bromo-3-hexylphenyl)pyridine;2-(3-hexylbenzene-6-id-1-yl)-5-[2-hexyl-4-(5-methyl-2-pyridinyl)phenyl]pyridine;2-(3-hexyl-4-methylphenyl)-5-methylpyridine;iridium(3+);2-phenylpyridine;bis(2-phenylpyridine);2-pyridin-2-ylpyridine
CID 157280989
5-(3,5-Dimethylphenyl)-4-methyl-2-phenylpyridine;4-(2,4-dimethylphenyl)-2-phenylpyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 157349308

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 157079551) is 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is Brc1cccc(-c2cccc(-c3ccccc3-c3cccc(-c4ccccn4)c3)c2)c1.Brc1cccc(-c2cccc(Br)c2)c1.CC(=O)C=C(C)O.Cc1ccccc1-c1cccc(-c2ccccn2)c1.[Ir].[c-]1ccccc1-c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4ccnc(-c5[c-]cccc5)c4)c3)c2)cn1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccccc5-c5cccc(-c6ccccn6)c5)c4)c3)cc2)nc1.
What is the InChIKey of 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is QVIRYSSBWKCACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2.C40H28N2.C29H20BrN.C18H15N.C12H8Br2.C5H8O2.Ir/c1-3-11-29(12-4-1)39-22-21-36(28-42-39)33-17-9-15-31(25-33)32-16-10-18-34(26-32)37-19-7-8-20-38(37)35-23-24-41-40(27-35)30-13-5-2-6-14-30;1-2-17-38(35-14-9-15-36(28-35)40-19-4-6-25-42-40)37(16-1)34-13-8-12-33(27-34)32-11-7-10-31(26-32)29-20-22-30(23-21-29)39-18-3-5-24-41-39;30-26-13-7-9-22(20-26)21-8-5-10-23(18-21)27-14-1-2-15-28(27)24-11-6-12-25(19-24)29-16-3-4-17-31-29;1-14-7-2-3-10-17(14)15-8-6-9-16(13-15)18-11-4-5-12-19-18;13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-4(6)3-5(2)7;/h1-11,13,15-28H;1-28H;1-20H;2-13H,1H3;1-8H;3,6H,1-2H3;/q-2;;;;;;.
What are the key properties of 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine?
1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 2383.39 g/mol, XLogP of 39.71, 20 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromophenyl)benzene;2-[3-[2-[3-(3-bromophenyl)phenyl]phenyl]phenyl]pyridine;4-hydroxypent-3-en-2-one;iridium;2-[3-(2-methylphenyl)phenyl]pyridine;2-phenyl-4-[2-[3-[3-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine;2-[3-[2-[3-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 157079551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).