[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane

C46H36N2Si — CID 59489119

IUPAC[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C46H36N2Si/c1-4-49(2,3)38-27-25-33(26-28-38)32-21-23-34(24-22-32)35-29-36(47-43-17-9-5-13-39(43)40-14-6-10-18-44(40)47)31-37(30-35)48-45-19-11-7-15-41(45)42-16-8-12-20-46(42)48/h4-31H,1H2,2-3H3
InChIKeyKKDYOHMREZWYPS-UHFFFAOYSA-N
MW644.89 g/mol
LogP11.86
Rot. Bonds6

About [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane

[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane (PubChem CID 59489119) has the molecular formula C46H36N2Si and a molecular weight of 644.89 g/mol. Its IUPAC name is [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane.

Molecular Properties

Compound Name[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane
PubChem CID59489119
Molecular FormulaC46H36N2Si
Molecular Weight644.89 g/mol
Exact Mass644.26
IUPAC Name[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane
SMILESC=C[Si](C)(C)c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C46H36N2Si/c1-4-49(2,3)38-27-25-33(26-28-38)32-21-23-34(24-22-32)35-29-36(47-43-17-9-5-13-39(43)40-14-6-10-18-44(40)47)31-37(30-35)48-45-19-11-7-15-41(45)42-16-8-12-20-46(42)48/h4-31H,1H2,2-3H3
InChIKeyKKDYOHMREZWYPS-UHFFFAOYSA-N
XLogP11.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.89
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane
CID 59399853
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
tetrakis[4-(4-carbazol-9-ylphenyl)phenyl]silane
CID 102286078
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-(3-carbazol-9-yl-5-prop-2-enylphenyl)carbazole
CID 139517953
[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 89027796
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 58526987

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane?
The IUPAC name of [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane (CID 59489119) is [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane.
What is the SMILES notation for [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane?
The canonical SMILES for [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane is C=C[Si](C)(C)c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.
What is the InChIKey of [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane?
The InChIKey is KKDYOHMREZWYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2Si/c1-4-49(2,3)38-27-25-33(26-28-38)32-21-23-34(24-22-32)35-29-36(47-43-17-9-5-13-39(43)40-14-6-10-18-44(40)47)31-37(30-35)48-45-19-11-7-15-41(45)42-16-8-12-20-46(42)48/h4-31H,1H2,2-3H3.
What are the key properties of [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane?
[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane has a molecular weight of 644.89 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-ethenyl-dimethylsilane is sourced from PubChem (CID 59489119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).