(4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene

C114H84N2Si3 — CID 159551353

About (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene

(4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene (PubChem CID 159551353) has the molecular formula C114H84N2Si3 and a molecular weight of 1566.20 g/mol. Its IUPAC name is (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene.

Molecular Properties

• Compound Name: (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene
• PubChem CID: 159551353
• Molecular Formula: C114H84N2Si3
• Molecular Weight: 1566.20 g/mol
• Exact Mass: 1564.59
• IUPAC Name: (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene
• SMILES: [SiH3]c1cc(-c2ccccc2)cc(-c2ccccc2)c1.[SiH3]c1ccc(-n2c3ccccc3c3ccccc32)cc1.[SiH3]c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc21
• InChI: InChI=1S/C60H36.C18H15NSi.C18H17NSi.C18H16Si/c1-4-19-49-43(13-1)46-16-7-10-22-52(46)58-34-37(25-28-55(49)58)40-31-41(38-26-29-56-50-20-5-2-14-44(50)47-17-8-11-23-53(47)59(56)35-38)33-42(32-40)39-27-30-57-51-21-6-3-15-45(51)48-18-9-12-24-54(48)60(57)36-39;20-14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-36H;1-12H,20H3;1-14H,20H3;1-13H,19H3
• InChIKey: MFKWLXBOLUAKKK-UHFFFAOYSA-N
• XLogP: 26.00
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1566.20
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene?

The IUPAC name of (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene (CID 159551353) is (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene.

What is the SMILES notation for (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene?

The canonical SMILES for (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene is [SiH3]c1cc(-c2ccccc2)cc(-c2ccccc2)c1.[SiH3]c1ccc(-n2c3ccccc3c3ccccc32)cc1.[SiH3]c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1cc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)ccc21.

What is the InChIKey of (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene?

The InChIKey is MFKWLXBOLUAKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36.C18H15NSi.C18H17NSi.C18H16Si/c1-4-19-49-43(13-1)46-16-7-10-22-52(46)58-34-37(25-28-55(49)58)40-31-41(38-26-29-56-50-20-5-2-14-44(50)47-17-8-11-23-53(47)59(56)35-38)33-42(32-40)39-27-30-57-51-21-6-3-15-45(51)48-18-9-12-24-54(48)60(57)36-39;20-14-11-9-13(10-12-14)19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;20-18-13-11-17(12-14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16;19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-36H;1-12H,20H3;1-14H,20H3;1-13H,19H3.

What are the key properties of (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene?

(4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene has a molecular weight of 1566.20 g/mol, XLogP of 26.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4-carbazol-9-ylphenyl)silane;(3,5-diphenylphenyl)silane;N,N-diphenyl-4-silylaniline;2-[3,5-di(triphenylen-2-yl)phenyl]triphenylene is sourced from PubChem (CID 159551353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).