[3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

C60H48N2Si — CID 176779733

IUPAC[3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(C3C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c([2H])c1n2-c1cccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C60H48N2Si/c1-5-20-43(21-6-1)45-24-17-30-50(40-45)63(48-26-9-3-10-27-48,49-28-11-4-12-29-49)51-31-18-25-47(42-51)61-56-35-16-14-33-54(56)60-57(61)36-19-37-58(60)62-55-34-15-13-32-52(55)53-39-38-46(41-59(53)62)44-22-7-2-8-23-44/h1,3-6,9-21,24-42,44H,2,7-8,22-23H2/i2D2,7D2,8D2,13D,15D,22D2,23D2,32D,34D,38D,39D,41D
InChIKeyPOEQESBNDBKJRU-FYBFSDSGSA-N
MW842.25 g/mol
LogP12.97
Rot. Bonds8

About [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

[3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 176779733) has the molecular formula C60H48N2Si and a molecular weight of 842.25 g/mol. Its IUPAC name is [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

Compound Name[3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
PubChem CID176779733
Molecular FormulaC60H48N2Si
Molecular Weight842.25 g/mol
Exact Mass841.47
IUPAC Name[3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(C3C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c([2H])c1n2-c1cccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C60H48N2Si/c1-5-20-43(21-6-1)45-24-17-30-50(40-45)63(48-26-9-3-10-27-48,49-28-11-4-12-29-49)51-31-18-25-47(42-51)61-56-35-16-14-33-54(56)60-57(61)36-19-37-58(60)62-55-34-15-13-32-52(55)53-39-38-46(41-59(53)62)44-22-7-2-8-23-44/h1,3-6,9-21,24-42,44H,2,7-8,22-23H2/i2D2,7D2,8D2,13D,15D,22D2,23D2,32D,34D,38D,39D,41D
InChIKeyPOEQESBNDBKJRU-FYBFSDSGSA-N
XLogP12.97
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.25
LogP ≤ 512.97
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-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane with MolForge

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[3-(4-deuteriophenyl)phenyl]carbazol-4-yl]carbazole
CID 170517472
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
triphenyl-[3-[4-[1-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588340
[3-[3-(5-carbazol-9-yl-2-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588896
[3-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588646
triphenyl-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633
1,2,3,4,5,7,8-heptadeuterio-6-[1,2,4,5,6,7,8-heptadeuterio-9-(6-deuterio-9-phenylcarbazol-4-yl)carbazol-3-yl]-9-phenylcarbazole
CID 167377811
[3-[3-carbazol-9-yl-5-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7-hexadeuterio-3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784836
[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
[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785001
[3-[4-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 162490215
diphenyl-(3-phenylphenyl)-[3-[5-phenyl-3-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]silane
CID 171458498

Frequently Asked Questions

What is the IUPAC name of [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The IUPAC name of [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (CID 176779733) is [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.
What is the SMILES notation for [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The canonical SMILES for [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(C3C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C3([2H])[2H])c([2H])c1n2-c1cccc2c1c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
The InChIKey is POEQESBNDBKJRU-FYBFSDSGSA-N. The full InChI is InChI=1S/C60H48N2Si/c1-5-20-43(21-6-1)45-24-17-30-50(40-45)63(48-26-9-3-10-27-48,49-28-11-4-12-29-49)51-31-18-25-47(42-51)61-56-35-16-14-33-54(56)60-57(61)36-19-37-58(60)62-55-34-15-13-32-52(55)53-39-38-46(41-59(53)62)44-22-7-2-8-23-44/h1,3-6,9-21,24-42,44H,2,7-8,22-23H2/i2D2,7D2,8D2,13D,15D,22D2,23D2,32D,34D,38D,39D,41D.
What are the key properties of [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?
[3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 842.25 g/mol, XLogP of 12.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[2-(2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexyl)-1,3,4,5,6,7,8-heptadeuteriocarbazol-9-yl]carbazol-9-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 176779733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).