[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

C62H46N2Si — CID 89027796

IUPAC[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H46N2Si/c1-43-19-18-20-44(2)62(43)46-35-38-61-57(41-46)56-29-14-17-32-60(56)64(61)49-40-47(39-48(42-49)63-58-30-15-12-27-54(58)55-28-13-16-31-59(55)63)45-33-36-53(37-34-45)65(50-21-6-3-7-22-50,51-23-8-4-9-24-51)52-25-10-5-11-26-52/h3-42H,1-2H3
InChIKeyQSQPNOZFABDSEY-UHFFFAOYSA-N
MW847.15 g/mol
LogP13.21
Rot. Bonds8

About [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 89027796) has the molecular formula C62H46N2Si and a molecular weight of 847.15 g/mol. Its IUPAC name is [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
PubChem CID89027796
Molecular FormulaC62H46N2Si
Molecular Weight847.15 g/mol
Exact Mass846.34
IUPAC Name[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C62H46N2Si/c1-43-19-18-20-44(2)62(43)46-35-38-61-57(41-46)56-29-14-17-32-60(56)64(61)49-40-47(39-48(42-49)63-58-30-15-12-27-54(58)55-28-13-16-31-59(55)63)45-33-36-53(37-34-45)65(50-21-6-3-7-22-50,51-23-8-4-9-24-51)52-25-10-5-11-26-52/h3-42H,1-2H3
InChIKeyQSQPNOZFABDSEY-UHFFFAOYSA-N
XLogP13.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.15
LogP ≤ 513.21
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

triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784997
3-(2,6-dimethylphenyl)-9-[3-[3-(2,6-dimethylphenyl)carbazol-9-yl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 152543561
[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane
CID 176784938
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
[4-[4-[3-carbazol-9-yl-5-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785001
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607

Frequently Asked Questions

What is the IUPAC name of [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
The IUPAC name of [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (CID 89027796) is [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.
What is the SMILES notation for [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
The canonical SMILES for [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is Cc1cccc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
The InChIKey is QSQPNOZFABDSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2Si/c1-43-19-18-20-44(2)62(43)46-35-38-61-57(41-46)56-29-14-17-32-60(56)64(61)49-40-47(39-48(42-49)63-58-30-15-12-27-54(58)55-28-13-16-31-59(55)63)45-33-36-53(37-34-45)65(50-21-6-3-7-22-50,51-23-8-4-9-24-51)52-25-10-5-11-26-52/h3-42H,1-2H3.
What are the key properties of [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?
[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane has a molecular weight of 847.15 g/mol, XLogP of 13.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 89027796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).