[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane

C78H52N2OSi — CID 168762609

IUPAC[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
SMILESc1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6ccccc6-c6ccc7c(c6)oc6ccccc67)c54)ccc32)cc1
InChIInChI=1S/C78H52N2OSi/c1-6-25-53(26-7-1)69-51-60(82(57-29-10-3-11-30-57,58-31-12-4-13-32-58)59-33-14-5-15-34-59)52-70(54-27-8-2-9-28-54)78(69)80-73-43-22-19-38-64(73)71-50-56(46-48-74(71)80)79-72-42-21-18-37-63(72)68-41-24-40-67(77(68)79)62-36-17-16-35-61(62)55-45-47-66-65-39-20-23-44-75(65)81-76(66)49-55/h1-52H
InChIKeyCWAICNCIQSOMIZ-UHFFFAOYSA-N
MW1061.37 g/mol
LogP17.83
Rot. Bonds10

About [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane

[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane (PubChem CID 168762609) has the molecular formula C78H52N2OSi and a molecular weight of 1061.37 g/mol. Its IUPAC name is [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
PubChem CID168762609
Molecular FormulaC78H52N2OSi
Molecular Weight1061.37 g/mol
Exact Mass1060.38
IUPAC Name[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
SMILESc1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6ccccc6-c6ccc7c(c6)oc6ccccc67)c54)ccc32)cc1
InChIInChI=1S/C78H52N2OSi/c1-6-25-53(26-7-1)69-51-60(82(57-29-10-3-11-30-57,58-31-12-4-13-32-58)59-33-14-5-15-34-59)52-70(54-27-8-2-9-28-54)78(69)80-73-43-22-19-38-64(73)71-50-56(46-48-74(71)80)79-72-42-21-18-37-63(72)68-41-24-40-67(77(68)79)62-36-17-16-35-61(62)55-45-47-66-65-39-20-23-44-75(65)81-76(66)49-55/h1-52H
InChIKeyCWAICNCIQSOMIZ-UHFFFAOYSA-N
XLogP17.83
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.37
LogP ≤ 517.83
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'}

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Related Compounds

[4-[3-[1-(2-dibenzofuran-2-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
CID 168762466
[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
[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 168762532
[4-[3-(1-dibenzothiophen-1-ylcarbazol-9-yl)carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762399
[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane
CID 168762469
9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-1-phenylcarbazole
CID 163676020
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-diphenylsilane
CID 168762634
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632
[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762391
[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762506
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762463

Frequently Asked Questions

What is the IUPAC name of [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?
The IUPAC name of [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane (CID 168762609) is [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane.
What is the SMILES notation for [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?
The canonical SMILES for [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane is c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc(-c3ccccc3)c2-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6ccccc6-c6ccc7c(c6)oc6ccccc67)c54)ccc32)cc1.
What is the InChIKey of [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?
The InChIKey is CWAICNCIQSOMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2OSi/c1-6-25-53(26-7-1)69-51-60(82(57-29-10-3-11-30-57,58-31-12-4-13-32-58)59-33-14-5-15-34-59)52-70(54-27-8-2-9-28-54)78(69)80-73-43-22-19-38-64(73)71-50-56(46-48-74(71)80)79-72-42-21-18-37-63(72)68-41-24-40-67(77(68)79)62-36-17-16-35-61(62)55-45-47-66-65-39-20-23-44-75(65)81-76(66)49-55/h1-52H.
What are the key properties of [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane?
[4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane has a molecular weight of 1061.37 g/mol, XLogP of 17.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[1-(2-dibenzofuran-3-ylphenyl)carbazol-9-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane is sourced from PubChem (CID 168762609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).