[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

C60H42N2Si — CID 171458385

IUPAC[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2c([2H])c([2H])c3c(c2[2H])c2c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c([2H])c2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)51-34-19-37-57-59(51)53-33-16-17-36-55(53)62(57)46-39-40-56-54(42-46)60-52(44-23-8-2-9-24-44)35-20-38-58(60)61(56)45-25-18-32-50(41-45)63(47-26-10-3-11-27-47,48-28-12-4-13-29-48)49-30-14-5-15-31-49/h1-42H/i1D,2D,6D,7D,8D,9D,20D,21D,22D,23D,24D,35D,38D,39D,40D,42D
InChIKeyGMDOWEXNAHRYEP-MIDIQJQBSA-N
MW835.19 g/mol
LogP12.59
Rot. Bonds8

About [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane

[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 171458385) has the molecular formula C60H42N2Si and a molecular weight of 835.19 g/mol. Its IUPAC name is [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
PubChem CID171458385
Molecular FormulaC60H42N2Si
Molecular Weight835.19 g/mol
Exact Mass834.41
IUPAC Name[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2c([2H])c([2H])c3c(c2[2H])c2c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c([2H])c2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c([2H])c1[2H]
InChIInChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)51-34-19-37-57-59(51)53-33-16-17-36-55(53)62(57)46-39-40-56-54(42-46)60-52(44-23-8-2-9-24-44)35-20-38-58(60)61(56)45-25-18-32-50(41-45)63(47-26-10-3-11-27-47,48-28-12-4-13-29-48)49-30-14-5-15-31-49/h1-42H/i1D,2D,6D,7D,8D,9D,20D,21D,22D,23D,24D,35D,38D,39D,40D,42D
InChIKeyGMDOWEXNAHRYEP-MIDIQJQBSA-N
XLogP12.59
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.19
LogP ≤ 512.59
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'}

Analyze [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane with MolForge

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Related Compounds

[1,2,4,5,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-5-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
CID 171457899
1,2,3,4,6,7,8-heptadeuterio-9-[1,2,4,6,7,8-hexadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)-9-(3-phenylphenyl)carbazol-3-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 171458617
(3-carbazol-9-ylphenyl)-[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenylsilane
CID 171457919
diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 171458498
1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011858
[3-[3-(1,2,3,4,6,7,8-heptadeuterio-5-methylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165019788
2-[4-(2-phenylphenyl)carbazol-9-yl]-9-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 171458093
triphenyl-[3-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589061
[3-(3-carbazol-9-yl-5-phenylcarbazol-9-yl)phenyl]-diphenyl-(4-phenylphenyl)silane
CID 171458759
[6-carbazol-9-yl-9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]-triphenylsilane;1,2,3,4,5,6,7-heptadeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole;1,2,3,4-tetradeuterio-9-[9-[3-[2,4,6-tris(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 165095571
[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane;triphenyl-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]silane
CID 163989524
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,3,4,6,7,8-heptadeuterio-5-(2-phenylphenyl)carbazol-9-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 171458654

Frequently Asked Questions

What is the IUPAC name of [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?
The IUPAC name of [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane (CID 171458385) is [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2c([2H])c([2H])c3c(c2[2H])c2c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c([2H])c([2H])c([2H])c2n3-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c([2H])c1[2H].
What is the InChIKey of [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?
The InChIKey is GMDOWEXNAHRYEP-MIDIQJQBSA-N. The full InChI is InChI=1S/C60H42N2Si/c1-6-21-43(22-7-1)51-34-19-37-57-59(51)53-33-16-17-36-55(53)62(57)46-39-40-56-54(42-46)60-52(44-23-8-2-9-24-44)35-20-38-58(60)61(56)45-25-18-32-50(41-45)63(47-26-10-3-11-27-47,48-28-12-4-13-29-48)49-30-14-5-15-31-49/h1-42H/i1D,2D,6D,7D,8D,9D,20D,21D,22D,23D,24D,35D,38D,39D,40D,42D.
What are the key properties of [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane?
[3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 835.19 g/mol, XLogP of 12.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-6-[4-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 171458385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).