[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane

C60H43BN2Si — CID 168848132

IUPAC[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane
SMILES[2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5c([2H])c([2H])c([2H])c(N6B(c7ccccc7)c7ccccc7-c7ccccc76)c5[2H])c4c3)c2)c([2H])c1[2H]
InChIInChI=1S/C60H43BN2Si/c1-5-21-44(22-6-1)45-23-19-32-51(41-45)64(49-28-9-3-10-29-49,50-30-11-4-12-31-50)52-39-40-56-55-35-14-17-37-58(55)62(60(56)43-52)47-26-20-27-48(42-47)63-59-38-18-15-34-54(59)53-33-13-16-36-57(53)61(63)46-24-7-2-8-25-46/h1-43H/i1D,5D,6D,20D,21D,22D,26D,27D,42D
InChIKeyIJSOPRRUNFXXJS-SDLGFAERSA-N
MW839.97 g/mol
LogP10.75
Rot. Bonds8

About [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane

[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane (PubChem CID 168848132) has the molecular formula C60H43BN2Si and a molecular weight of 839.97 g/mol. Its IUPAC name is [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane.

Molecular Properties

Compound Name[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane
PubChem CID168848132
Molecular FormulaC60H43BN2Si
Molecular Weight839.97 g/mol
Exact Mass839.39
IUPAC Name[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane
SMILES[2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5c([2H])c([2H])c([2H])c(N6B(c7ccccc7)c7ccccc7-c7ccccc76)c5[2H])c4c3)c2)c([2H])c1[2H]
InChIInChI=1S/C60H43BN2Si/c1-5-21-44(22-6-1)45-23-19-32-51(41-45)64(49-28-9-3-10-29-49,50-30-11-4-12-31-50)52-39-40-56-55-35-14-17-37-58(55)62(60(56)43-52)47-26-20-27-48(42-47)63-59-38-18-15-34-54(59)53-33-13-16-36-57(53)61(63)46-24-7-2-8-25-46/h1-43H/i1D,5D,6D,20D,21D,22D,26D,27D,42D
InChIKeyIJSOPRRUNFXXJS-SDLGFAERSA-N
XLogP10.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.97
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[9-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]carbazol-2-yl]-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenylsilane
CID 164756587
6-phenyl-5-[3-(3-phenylcarbazol-9-yl)phenyl]benzo[c][1,2]benzazaborinine
CID 168848168
5-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848251
5-[3-[3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848142
[9-[8-carbazol-9-yl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515569
[9-[9-(2,6-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170515008
triphenyl-[9-[9-[4-(2-phenylphenyl)phenyl]carbazol-4-yl]carbazol-2-yl]silane
CID 170515899
triphenyl-[9-[6-phenyl-9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]silane
CID 170515763
2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 171458093
[9-[9-(2,5-diphenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170516383
triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
CID 157254105

Frequently Asked Questions

What is the IUPAC name of [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane?
The IUPAC name of [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane (CID 168848132) is [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane.
What is the SMILES notation for [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane?
The canonical SMILES for [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane is [2H]c1c([2H])c([2H])c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5c([2H])c([2H])c([2H])c(N6B(c7ccccc7)c7ccccc7-c7ccccc76)c5[2H])c4c3)c2)c([2H])c1[2H].
What is the InChIKey of [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane?
The InChIKey is IJSOPRRUNFXXJS-SDLGFAERSA-N. The full InChI is InChI=1S/C60H43BN2Si/c1-5-21-44(22-6-1)45-23-19-32-51(41-45)64(49-28-9-3-10-29-49,50-30-11-4-12-31-50)52-39-40-56-55-35-14-17-37-58(55)62(60(56)43-52)47-26-20-27-48(42-47)63-59-38-18-15-34-54(59)53-33-13-16-36-57(53)61(63)46-24-7-2-8-25-46/h1-43H/i1D,5D,6D,20D,21D,22D,26D,27D,42D.
What are the key properties of [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane?
[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane has a molecular weight of 839.97 g/mol, XLogP of 10.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-diphenyl-[9-[2,3,4,6-tetradeuterio-5-(6-phenylbenzo[c][1,2]benzazaborinin-5-yl)phenyl]carbazol-2-yl]silane is sourced from PubChem (CID 168848132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).