trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane

C54H47N3Si2 — CID 123575864

IUPACtrimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc(-c3ccc4c5cc([Si](C)(C)C)ccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C54H47N3Si2/c1-58(2,3)41-24-29-52-47(34-41)44-26-21-37(36-22-27-50-45(31-36)48-35-42(59(4,5)6)25-30-53(48)56(50)39-17-11-8-12-18-39)32-54(44)57(52)40-23-28-51-46(33-40)43-19-13-14-20-49(43)55(51)38-15-9-7-10-16-38/h7-35H,1-6H3
InChIKeyFNGVKELDAGUTOS-UHFFFAOYSA-N
MW794.16 g/mol
LogP13.74
Rot. Bonds6

About trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane

trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane (PubChem CID 123575864) has the molecular formula C54H47N3Si2 and a molecular weight of 794.16 g/mol. Its IUPAC name is trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
PubChem CID123575864
Molecular FormulaC54H47N3Si2
Molecular Weight794.16 g/mol
Exact Mass793.33
IUPAC Nametrimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc(-c3ccc4c5cc([Si](C)(C)C)ccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C54H47N3Si2/c1-58(2,3)41-24-29-52-47(34-41)44-26-21-37(36-22-27-50-45(31-36)48-35-42(59(4,5)6)25-30-53(48)56(50)39-17-11-8-12-18-39)32-54(44)57(52)40-23-28-51-46(33-40)43-19-13-14-20-49(43)55(51)38-15-9-7-10-16-38/h7-35H,1-6H3
InChIKeyFNGVKELDAGUTOS-UHFFFAOYSA-N
XLogP13.74
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.16
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123744024
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
triphenyl-[6-(2-phenylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 170516502
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-[9-(4-tert-butylphenyl)carbazol-3-yl]-9-carbazol-9-ylcarbazole;[4-[3-(9-carbazol-9-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-trimethylsilane;2-(9-carbazol-9-ylcarbazol-2-yl)-9-phenylcarbazole
CID 162075341
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
[4-[3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-trimethylsilane
CID 71287060
3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane
CID 157135104

Frequently Asked Questions

What is the IUPAC name of trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?
The IUPAC name of trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane (CID 123575864) is trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane.
What is the SMILES notation for trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?
The canonical SMILES for trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane is C[Si](C)(C)c1ccc2c(c1)c1cc(-c3ccc4c5cc([Si](C)(C)C)ccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?
The InChIKey is FNGVKELDAGUTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N3Si2/c1-58(2,3)41-24-29-52-47(34-41)44-26-21-37(36-22-27-50-45(31-36)48-35-42(59(4,5)6)25-30-53(48)56(50)39-17-11-8-12-18-39)32-54(44)57(52)40-23-28-51-46(33-40)43-19-13-14-20-49(43)55(51)38-15-9-7-10-16-38/h7-35H,1-6H3.
What are the key properties of trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane?
trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane has a molecular weight of 794.16 g/mol, XLogP of 13.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane is sourced from PubChem (CID 123575864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).