[4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane

C72H48N2OSi — CID 168762387

IUPAC[4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2cc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cccc7oc8ccccc8c67)c54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C72H48N2OSi/c1-6-24-49(25-7-1)62-47-55(76(52-28-10-3-11-29-52,53-30-12-4-13-31-53)54-32-14-5-15-33-54)48-63(50-26-8-2-9-27-50)72(62)74-66-41-20-17-35-57(66)64-46-51(44-45-67(64)74)73-65-40-19-16-34-56(65)59-38-22-39-60(71(59)73)58-37-23-43-69-70(58)61-36-18-21-42-68(61)75-69/h1-48H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,24D,25D,26D,27D,28D,29D
InChIKeyJZVXGFLDGCLUKE-GXSHWZIPSA-N
MW1000.37 g/mol
LogP16.16
Rot. Bonds9

About [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane

[4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane (PubChem CID 168762387) has the molecular formula C72H48N2OSi and a molecular weight of 1000.37 g/mol. Its IUPAC name is [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane.

Molecular Properties

Compound Name[4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
PubChem CID168762387
Molecular FormulaC72H48N2OSi
Molecular Weight1000.37 g/mol
Exact Mass999.45
IUPAC Name[4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
SMILES[2H]c1c([2H])c([2H])c(-c2cc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cccc7oc8ccccc8c67)c54)ccc32)c([2H])c1[2H]
InChIInChI=1S/C72H48N2OSi/c1-6-24-49(25-7-1)62-47-55(76(52-28-10-3-11-29-52,53-30-12-4-13-31-53)54-32-14-5-15-33-54)48-63(50-26-8-2-9-27-50)72(62)74-66-41-20-17-35-57(66)64-46-51(44-45-67(64)74)73-65-40-19-16-34-56(65)59-38-22-39-60(71(59)73)58-37-23-43-69-70(58)61-36-18-21-42-68(61)75-69/h1-48H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,24D,25D,26D,27D,28D,29D
InChIKeyJZVXGFLDGCLUKE-GXSHWZIPSA-N
XLogP16.16
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.37
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane with MolForge

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Related Compounds

[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762609
[4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
CID 168762466
(3-carbazol-9-ylphenyl)-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)phenyl]-diphenylsilane
CID 177073528
[4-(2-carbazol-9-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane
CID 168762468
[4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762399
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
[9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazol-4-yl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane
CID 164756707
[4-[1-(3-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588810
[4-(3-dibenzothiophen-1-ylcarbazol-9-yl)-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-triphenylsilane
CID 168762689
[3-[3-(2-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588854
1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 163881699
[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 168762532

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The IUPAC name of [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane (CID 168762387) is [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane.
What is the SMILES notation for [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The canonical SMILES for [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane is [2H]c1c([2H])c([2H])c(-c2cc([Si](c3ccccc3)(c3ccccc3)c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cccc7oc8ccccc8c67)c54)ccc32)c([2H])c1[2H].
What is the InChIKey of [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
The InChIKey is JZVXGFLDGCLUKE-GXSHWZIPSA-N. The full InChI is InChI=1S/C72H48N2OSi/c1-6-24-49(25-7-1)62-47-55(76(52-28-10-3-11-29-52,53-30-12-4-13-31-53)54-32-14-5-15-33-54)48-63(50-26-8-2-9-27-50)72(62)74-66-41-20-17-35-57(66)64-46-51(44-45-67(64)74)73-65-40-19-16-34-56(65)59-38-22-39-60(71(59)73)58-37-23-43-69-70(58)61-36-18-21-42-68(61)75-69/h1-48H/i1D,2D,3D,6D,7D,8D,9D,10D,11D,24D,25D,26D,27D,28D,29D.
What are the key properties of [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane?
[4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane has a molecular weight of 1000.37 g/mol, XLogP of 16.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)-diphenylsilane is sourced from PubChem (CID 168762387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).