(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane

C37H29NSi — CID 158052706

IUPAC(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C37H29NSi/c1-28-21-23-32(24-22-28)39(30-15-7-3-8-16-30,31-17-9-4-10-18-31)33-25-26-37-35(27-33)34-19-11-12-20-36(34)38(37)29-13-5-2-6-14-29/h2-27H,1H3
InChIKeyTYTMSZJRZZYQKA-UHFFFAOYSA-N
MW515.73 g/mol
LogP6.47
Rot. Bonds5

About (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane

(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 158052706) has the molecular formula C37H29NSi and a molecular weight of 515.73 g/mol. Its IUPAC name is (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

Compound Name(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
PubChem CID158052706
Molecular FormulaC37H29NSi
Molecular Weight515.73 g/mol
Exact Mass515.21
IUPAC Name(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
SMILESCc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C37H29NSi/c1-28-21-23-32(24-22-28)39(30-15-7-3-8-16-30,31-17-9-4-10-18-31)33-25-26-37-35(27-33)34-19-11-12-20-36(34)38(37)29-13-5-2-6-14-29/h2-27H,1H3
InChIKeyTYTMSZJRZZYQKA-UHFFFAOYSA-N
XLogP6.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.73
LogP ≤ 56.47
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

[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
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 159127596
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
bis(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-diphenylsilane
CID 58489663
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
bis(4-carbazol-9-ylphenyl)-diphenylsilane
CID 139043550

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane?
The IUPAC name of (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane (CID 158052706) is (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane.
What is the SMILES notation for (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane?
The canonical SMILES for (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane is Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane?
The InChIKey is TYTMSZJRZZYQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NSi/c1-28-21-23-32(24-22-28)39(30-15-7-3-8-16-30,31-17-9-4-10-18-31)33-25-26-37-35(27-33)34-19-11-12-20-36(34)38(37)29-13-5-2-6-14-29/h2-27H,1H3.
What are the key properties of (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane?
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane has a molecular weight of 515.73 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 158052706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).