[3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane

C79H54N2Si — CID 155602588

IUPAC[3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane
SMILESc1ccc(-c2cccc3c4ccccc4n(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc4-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)cc1
InChIInChI=1S/C79H54N2Si/c1-5-25-55(26-6-1)64-40-24-41-70-69-39-17-22-46-76(69)81(78(64)70)77-52-51-63(54-71(77)56-27-23-30-59(53-56)80-74-44-20-15-37-67(74)68-38-16-21-45-75(68)80)82(60-31-9-3-10-32-60,61-33-11-4-12-34-61)62-49-47-58(48-50-62)79(57-28-7-2-8-29-57)72-42-18-13-35-65(72)66-36-14-19-43-73(66)79/h1-54H
InChIKeyAEBBWQWJHBQVGY-UHFFFAOYSA-N
MW1059.40 g/mol
LogP16.96
Rot. Bonds10

About [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane

[3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane (PubChem CID 155602588) has the molecular formula C79H54N2Si and a molecular weight of 1059.40 g/mol. Its IUPAC name is [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane.

Molecular Properties

Compound Name[3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane
PubChem CID155602588
Molecular FormulaC79H54N2Si
Molecular Weight1059.40 g/mol
Exact Mass1058.41
IUPAC Name[3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane
SMILESc1ccc(-c2cccc3c4ccccc4n(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc4-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)cc1
InChIInChI=1S/C79H54N2Si/c1-5-25-55(26-6-1)64-40-24-41-70-69-39-17-22-46-76(69)81(78(64)70)77-52-51-63(54-71(77)56-27-23-30-59(53-56)80-74-44-20-15-37-67(74)68-38-16-21-45-75(68)80)82(60-31-9-3-10-32-60,61-33-11-4-12-34-61)62-49-47-58(48-50-62)79(57-28-7-2-8-29-57)72-42-18-13-35-65(72)66-36-14-19-43-73(66)79/h1-54H
InChIKeyAEBBWQWJHBQVGY-UHFFFAOYSA-N
XLogP16.96
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001059.40
LogP ≤ 516.96
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

[4-(2-carbazol-9-ylphenyl)-3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane
CID 155602550
[3-(3-carbazol-9-ylphenyl)phenyl]-diphenyl-[3-(9-phenylfluoren-9-yl)phenyl]silane
CID 155602586
[3-[2-[1-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588760
[4-[2-[1-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588964
[4-[1-[1-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588726
3-(9-phenylcarbazol-1-yl)-6-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 121311539
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]fluoren-2-amine
CID 165108367
[3-[2-[2-(9,9-diphenylfluoren-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588499
[3-[3-[2-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588365
[3-[1-[4-(9,9-diphenylfluoren-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588786
[4-[1-[3-(9,9-diphenylfluoren-3-yl)carbazol-9-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 166588808
methane;9-[3-(9-phenylfluoren-9-yl)phenyl]carbazole
CID 158348177

Frequently Asked Questions

What is the IUPAC name of [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane?
The IUPAC name of [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane (CID 155602588) is [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane.
What is the SMILES notation for [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane?
The canonical SMILES for [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane is c1ccc(-c2cccc3c4ccccc4n(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc4-c4cccc(-n5c6ccccc6c6ccccc65)c4)c23)cc1.
What is the InChIKey of [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane?
The InChIKey is AEBBWQWJHBQVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H54N2Si/c1-5-25-55(26-6-1)64-40-24-41-70-69-39-17-22-46-76(69)81(78(64)70)77-52-51-63(54-71(77)56-27-23-30-59(53-56)80-74-44-20-15-37-67(74)68-38-16-21-45-75(68)80)82(60-31-9-3-10-32-60,61-33-11-4-12-34-61)62-49-47-58(48-50-62)79(57-28-7-2-8-29-57)72-42-18-13-35-65(72)66-36-14-19-43-73(66)79/h1-54H.
What are the key properties of [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane?
[3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane has a molecular weight of 1059.40 g/mol, XLogP of 16.96, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbazol-9-ylphenyl)-4-(1-phenylcarbazol-9-yl)phenyl]-diphenyl-[4-(9-phenylfluoren-9-yl)phenyl]silane is sourced from PubChem (CID 155602588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).