[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane

C66H46N2Si — CID 168762469

IUPAC[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane
SMILESc1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C66H46N2Si/c1-7-23-47(24-8-1)50-39-41-64-60(43-50)61-44-51(67-62-37-21-19-35-56(62)57-36-20-22-38-63(57)67)40-42-65(61)68(64)66-58(48-25-9-2-10-26-48)45-55(46-59(66)49-27-11-3-12-28-49)69(52-29-13-4-14-30-52,53-31-15-5-16-32-53)54-33-17-6-18-34-54/h1-46H
InChIKeyYWVRGHQRSRKDKH-UHFFFAOYSA-N
MW895.19 g/mol
LogP14.26
Rot. Bonds9

About [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane

[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane (PubChem CID 168762469) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane
PubChem CID168762469
Molecular FormulaC66H46N2Si
Molecular Weight895.19 g/mol
Exact Mass894.34
IUPAC Name[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane
SMILESc1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C66H46N2Si/c1-7-23-47(24-8-1)50-39-41-64-60(43-50)61-44-51(67-62-37-21-19-35-56(62)57-36-20-22-38-63(57)67)40-42-65(61)68(64)66-58(48-25-9-2-10-26-48)45-55(46-59(66)49-27-11-3-12-28-49)69(52-29-13-4-14-30-52,53-31-15-5-16-32-53)54-33-17-6-18-34-54/h1-46H
InChIKeyYWVRGHQRSRKDKH-UHFFFAOYSA-N
XLogP14.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.19
LogP ≤ 514.26
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

(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-phenyl-6-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane
CID 168762611
[4-(3-carbazol-9-ylcarbazol-9-yl)-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762391
[4-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(3-phenylphenyl)silane
CID 168762463
[6-carbazol-9-yl-9-[4-[(3,5-diphenylphenyl)-diphenylsilyl]-2,6-diphenylphenyl]carbazol-3-yl]-triphenylsilane
CID 168762515
[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-diphenyl-(4-phenylphenyl)silane
CID 168762556
[4-[3-[9-(2,6-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]-3,5-diphenylphenyl]-triphenylsilane
CID 168762506
[9-[9-[4-[diphenyl-(4-phenylphenyl)silyl]-2,6-diphenylphenyl]carbazol-3-yl]carbazol-4-yl]-triphenylsilane
CID 168762404
(3,5-diphenylphenyl)-[3,5-diphenyl-4-[3-[9-(2-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 168762444
[3,5-diphenyl-4-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 168762532
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
triphenyl-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]silane
CID 170515813

Frequently Asked Questions

What is the IUPAC name of [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane?
The IUPAC name of [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane (CID 168762469) is [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane.
What is the SMILES notation for [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane?
The canonical SMILES for [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane is c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)ccc2n3-c2c(-c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane?
The InChIKey is YWVRGHQRSRKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si/c1-7-23-47(24-8-1)50-39-41-64-60(43-50)61-44-51(67-62-37-21-19-35-56(62)57-36-20-22-38-63(57)67)40-42-65(61)68(64)66-58(48-25-9-2-10-26-48)45-55(46-59(66)49-27-11-3-12-28-49)69(52-29-13-4-14-30-52,53-31-15-5-16-32-53)54-33-17-6-18-34-54/h1-46H.
What are the key properties of [4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane?
[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane has a molecular weight of 895.19 g/mol, XLogP of 14.26, 9 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-6-phenylcarbazol-9-yl)-3,5-diphenylphenyl]-triphenylsilane is sourced from PubChem (CID 168762469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).