[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium

C61H47F4GeIrN3S-2 — CID 156659137

IUPAC[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
SMILESFc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C44H25F4N2S.C17H22GeN.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-13,15-26H;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyGKHHOUUJVCUGJU-LTBAMTPYSA-N
MW1195.96 g/mol
LogP17.23
Rot. Bonds8

About [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium

[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium (PubChem CID 156659137) has the molecular formula C61H47F4GeIrN3S-2 and a molecular weight of 1195.96 g/mol. Its IUPAC name is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium.

Molecular Properties

Compound Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
PubChem CID156659137
Molecular FormulaC61H47F4GeIrN3S-2
Molecular Weight1195.96 g/mol
Exact Mass1197.23
IUPAC Name[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium
SMILESFc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C44H25F4N2S.C17H22GeN.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-13,15-26H;6-9,11-13H,1-5H3;/q2*-1;/i;13D;
InChIKeyGKHHOUUJVCUGJU-LTBAMTPYSA-N
XLogP17.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.96
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(1-Benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130538
5-[[4-(1-Benzothiophen-3-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130555
3-[9-[4-(8-Fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276722
3-[9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276732
6-[3,6-Bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-1-[3-(2,3,4,5,6-pentafluorophenyl)-6-(2,3,5,6-tetrafluoro-4-methylphenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 129302953
1,6-Bis[3,6-bis(2,3,4,5,6-pentafluorophenyl)carbazol-9-yl]-[1]benzothiolo[2,3-c]pyridine
CID 129308911
3-Methyl-6-(trifluoromethyl)-2-[5-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[4,5-b]pyridine
CID 132229321
6-(1-Phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]pyridin-3-yl]carbazole-3-carbonitrile
CID 134343622
2-[2-[6-[4-Chloro-6-(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]isoindole
CID 138519299
3-Isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 140850527
9-[4,6-Bis(8-fluorodibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144597247
17-Fluoro-10-(3-phenylphenyl)-14-thia-8,10-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 145025190

Frequently Asked Questions

What is the IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
The IUPAC name of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium (CID 156659137) is [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium.
What is the SMILES notation for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
The canonical SMILES for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium is Fc1cccc2nc(-c3[c-]ccc4c3sc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[2H]C(C)(C)c1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
The InChIKey is GKHHOUUJVCUGJU-LTBAMTPYSA-N. The full InChI is InChI=1S/C44H25F4N2S.C17H22GeN.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-13(2)15-11-17(14-9-7-6-8-10-14)19-12-16(15)18(3,4)5;/h1-13,15-26H;6-9,11-13H,1-5H3;/q2*-1;/i;13D;.
What are the key properties of [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium?
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium has a molecular weight of 1195.96 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium is sourced from PubChem (CID 156659137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).