[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane

C67H47N3Si — CID 174139185

IUPAC[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C67H47N3Si/c1-46-37-40-65-57(43-46)54-29-13-16-32-60(54)68(65)47-38-41-66-58(44-47)55-30-14-19-35-63(55)69(66)61-33-17-11-27-52(61)53-28-12-18-34-62(53)70-64-36-20-15-31-56(64)59-45-51(39-42-67(59)70)71(48-21-5-2-6-22-48,49-23-7-3-8-24-49)50-25-9-4-10-26-50/h2-45H,1H3
InChIKeyQBQINNWJZJAQSD-UHFFFAOYSA-N
MW922.22 g/mol
LogP14.33
Rot. Bonds8

About [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane

[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane (PubChem CID 174139185) has the molecular formula C67H47N3Si and a molecular weight of 922.22 g/mol. Its IUPAC name is [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane
PubChem CID174139185
Molecular FormulaC67H47N3Si
Molecular Weight922.22 g/mol
Exact Mass921.35
IUPAC Name[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C67H47N3Si/c1-46-37-40-65-57(43-46)54-29-13-16-32-60(54)68(65)47-38-41-66-58(44-47)55-30-14-19-35-63(55)69(66)61-33-17-11-27-52(61)53-28-12-18-34-62(53)70-64-36-20-15-31-56(64)59-45-51(39-42-67(59)70)71(48-21-5-2-6-22-48,49-23-7-3-8-24-49)50-25-9-4-10-26-50/h2-45H,1H3
InChIKeyQBQINNWJZJAQSD-UHFFFAOYSA-N
XLogP14.33
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.22
LogP ≤ 514.33
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

triphenyl-[9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515042
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 159127596
triphenyl-[6-phenyl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-3-yl]silane
CID 170515246
[4-[4-[2-(3-methylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588375
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
[4-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 177276588

Frequently Asked Questions

What is the IUPAC name of [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane?
The IUPAC name of [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane (CID 174139185) is [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane is Cc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane?
The InChIKey is QBQINNWJZJAQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N3Si/c1-46-37-40-65-57(43-46)54-29-13-16-32-60(54)68(65)47-38-41-66-58(44-47)55-30-14-19-35-63(55)69(66)61-33-17-11-27-52(61)53-28-12-18-34-62(53)70-64-36-20-15-31-56(64)59-45-51(39-42-67(59)70)71(48-21-5-2-6-22-48,49-23-7-3-8-24-49)50-25-9-4-10-26-50/h2-45H,1H3.
What are the key properties of [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane?
[9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane has a molecular weight of 922.22 g/mol, XLogP of 14.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[2-[2-[3-(3-methylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 174139185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).