(3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane

C81H65NSi3 — CID 174047665

IUPAC(3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane
SMILESCc1cccc([Si](c2ccccc2)(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5cccc([Si](C)(c6ccccc6)c6ccccc6)c5)cc4)cc3C)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C81H65NSi3/c1-60-26-23-40-74(56-60)85(70-37-17-8-18-38-70,75-41-25-28-65(59-75)82-80-44-21-19-42-78(80)79-43-20-22-45-81(79)82)72-52-48-63(49-53-72)77-55-54-76(57-61(77)2)84(68-33-13-6-14-34-68,69-35-15-7-16-36-69)71-50-46-62(47-51-71)64-27-24-39-73(58-64)83(3,66-29-9-4-10-30-66)67-31-11-5-12-32-67/h4-59H,1-3H3
InChIKeyHPBQWDKHFKBRKF-UHFFFAOYSA-N
MW1136.68 g/mol
LogP12.59
Rot. Bonds14

About (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane

(3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane (PubChem CID 174047665) has the molecular formula C81H65NSi3 and a molecular weight of 1136.68 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane.

Molecular Properties

Compound Name(3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane
PubChem CID174047665
Molecular FormulaC81H65NSi3
Molecular Weight1136.68 g/mol
Exact Mass1135.44
IUPAC Name(3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane
SMILESCc1cccc([Si](c2ccccc2)(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5cccc([Si](C)(c6ccccc6)c6ccccc6)c5)cc4)cc3C)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
InChIInChI=1S/C81H65NSi3/c1-60-26-23-40-74(56-60)85(70-37-17-8-18-38-70,75-41-25-28-65(59-75)82-80-44-21-19-42-78(80)79-43-20-22-45-81(79)82)72-52-48-63(49-53-72)77-55-54-76(57-61(77)2)84(68-33-13-6-14-34-68,69-35-15-7-16-36-69)71-50-46-62(47-51-71)64-27-24-39-73(58-64)83(3,66-29-9-4-10-30-66)67-31-11-5-12-32-67/h4-59H,1-3H3
InChIKeyHPBQWDKHFKBRKF-UHFFFAOYSA-N
XLogP12.59
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.68
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
triphenyl-[9-[5-phenyl-9-[3-[phenyl-bis(3-phenylphenyl)silyl]phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 171457989
triphenyl-[3-[3-[9-phenyl-7-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 140790424
[9-[6-(2,5-diphenylphenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-triphenylsilane
CID 174149154
[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]-tris(3-methylphenyl)silane
CID 140702801
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
[9-[9-(2,5-diphenylphenyl)carbazol-3-yl]carbazol-2-yl]-triphenylsilane
CID 170514986

Frequently Asked Questions

What is the IUPAC name of (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane?
The IUPAC name of (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane (CID 174047665) is (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane.
What is the SMILES notation for (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane?
The canonical SMILES for (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane is Cc1cccc([Si](c2ccccc2)(c2ccc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5cccc([Si](C)(c6ccccc6)c6ccccc6)c5)cc4)cc3C)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.
What is the InChIKey of (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane?
The InChIKey is HPBQWDKHFKBRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H65NSi3/c1-60-26-23-40-74(56-60)85(70-37-17-8-18-38-70,75-41-25-28-65(59-75)82-80-44-21-19-42-78(80)79-43-20-22-45-81(79)82)72-52-48-63(49-53-72)77-55-54-76(57-61(77)2)84(68-33-13-6-14-34-68,69-35-15-7-16-36-69)71-50-46-62(47-51-71)64-27-24-39-73(58-64)83(3,66-29-9-4-10-30-66)67-31-11-5-12-32-67/h4-59H,1-3H3.
What are the key properties of (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane?
(3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane has a molecular weight of 1136.68 g/mol, XLogP of 12.59, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbazol-9-ylphenyl)-[4-[2-methyl-4-[[4-[3-[methyl(diphenyl)silyl]phenyl]phenyl]-diphenylsilyl]phenyl]phenyl]-(3-methylphenyl)-phenylsilane is sourced from PubChem (CID 174047665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).