2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine

C53H36IrN2O2SeSi-2 — CID 153432891

IUPAC2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine
SMILESCOc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20NOSi.C24H16NOSe.Ir/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)27-19-8-7-18-26(27)31-29-24(16-11-20-28(29)32)25-17-9-10-21-30-25;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;/h1-15,17-21H;2-8,10-15H,1H3;/q2*-1;
InChIKeyIKIUSAIPLDDIQA-UHFFFAOYSA-N
MW1032.15 g/mol
LogP9.62
Rot. Bonds6

About 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine

2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine (PubChem CID 153432891) has the molecular formula C53H36IrN2O2SeSi-2 and a molecular weight of 1032.15 g/mol. Its IUPAC name is 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine.

Molecular Properties

Compound Name2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine
PubChem CID153432891
Molecular FormulaC53H36IrN2O2SeSi-2
Molecular Weight1032.15 g/mol
Exact Mass1033.14
IUPAC Name2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine
SMILESCOc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20NOSi.C24H16NOSe.Ir/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)27-19-8-7-18-26(27)31-29-24(16-11-20-28(29)32)25-17-9-10-21-30-25;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;/h1-15,17-21H;2-8,10-15H,1H3;/q2*-1;
InChIKeyIKIUSAIPLDDIQA-UHFFFAOYSA-N
XLogP9.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.15
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
CID 159156578
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 123565819
bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-(2-methylphenyl)pyrimidine);bis(4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine)
CID 165014944
2-(2,6-dimethylphenyl)-4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-1,3,5-triazine
CID 155622054
2-[3-fluoro-2-(4-methoxyphenyl)phenyl]pyridine
CID 102052636
bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939493
CID 162485985
CID 162485985
4-[2-(4-methoxyphenyl)phenyl]pyridine
CID 173342516
4-(2,6-dimethylphenyl)-2-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-6-(9,9-diphenylxanthen-4-yl)pyridine
CID 155650594
14,14-diphenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-21-oxa-10-aza-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953225
[3-(14,14-diphenyl-21-oxa-7,9-diaza-14-silapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-9-yl)phenyl]-diphenyl-(3-pyridin-2-ylphenyl)silane
CID 140952220
N-[4-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 140872024

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine?
The IUPAC name of 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine (CID 153432891) is 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine.
What is the SMILES notation for 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine?
The canonical SMILES for 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine is COc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine?
The InChIKey is IKIUSAIPLDDIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20NOSi.C24H16NOSe.Ir/c1-3-12-22(13-4-1)32(23-14-5-2-6-15-23)27-19-8-7-18-26(27)31-29-24(16-11-20-28(29)32)25-17-9-10-21-30-25;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;/h1-15,17-21H;2-8,10-15H,1H3;/q2*-1;.
What are the key properties of 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine?
2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine has a molecular weight of 1032.15 g/mol, XLogP of 9.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;iridium;2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine is sourced from PubChem (CID 153432891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).