3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole

C66H43N3SSi — CID 164757340

IUPAC3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccc([Si]6(c7ccccc7)c7ccccc7Sc7ccccc76)cc54)ccc32)cc1
InChIInChI=1S/C66H43N3SSi/c1-3-19-44(20-4-1)49-23-7-11-27-56(49)69-60-39-35-45(67-57-28-12-8-24-50(57)51-25-9-13-29-58(51)67)41-54(60)55-42-46(36-40-61(55)69)68-59-30-14-10-26-52(59)53-38-37-48(43-62(53)68)71(47-21-5-2-6-22-47)65-33-17-15-31-63(65)70-64-32-16-18-34-66(64)71/h1-43H
InChIKeyIMFXKCFOSQBVQP-UHFFFAOYSA-N
MW938.24 g/mol
LogP14.49
Rot. Bonds6

About 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole

3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole (PubChem CID 164757340) has the molecular formula C66H43N3SSi and a molecular weight of 938.24 g/mol. Its IUPAC name is 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
PubChem CID164757340
Molecular FormulaC66H43N3SSi
Molecular Weight938.24 g/mol
Exact Mass937.29
IUPAC Name3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccc([Si]6(c7ccccc7)c7ccccc7Sc7ccccc76)cc54)ccc32)cc1
InChIInChI=1S/C66H43N3SSi/c1-3-19-44(20-4-1)49-23-7-11-27-56(49)69-60-39-35-45(67-57-28-12-8-24-50(57)51-25-9-13-29-58(51)67)41-54(60)55-42-46(36-40-61(55)69)68-59-30-14-10-26-52(59)53-38-37-48(43-62(53)68)71(47-21-5-2-6-22-47)65-33-17-15-31-63(65)70-64-32-16-18-34-66(64)71/h1-43H
InChIKeyIMFXKCFOSQBVQP-UHFFFAOYSA-N
XLogP14.49
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.24
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
triphenyl-[4-[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[3-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[4-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 165021658
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 140937968
9-[3-(1-phenyl-8,14-dithia-1-silapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazole
CID 153300232
9-[2-[4-[10-(3-phenylphenyl)benzo[b][1,4]benzoxasilin-10-yl]phenyl]phenyl]carbazole
CID 177291134
8-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-8,14,14-triphenyl-1-aza-8,14-disilapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162769013
[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]phenyl]boronic acid
CID 164757312
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[b][1]benzosilol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177132563
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038
4-phenyl-9-[9-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]carbazol-4-yl]carbazole
CID 171458071
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole (CID 164757340) is 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole is c1ccc(-c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccc([Si]6(c7ccccc7)c7ccccc7Sc7ccccc76)cc54)ccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole?
The InChIKey is IMFXKCFOSQBVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3SSi/c1-3-19-44(20-4-1)49-23-7-11-27-56(49)69-60-39-35-45(67-57-28-12-8-24-50(57)51-25-9-13-29-58(51)67)41-54(60)55-42-46(36-40-61(55)69)68-59-30-14-10-26-52(59)53-38-37-48(43-62(53)68)71(47-21-5-2-6-22-47)65-33-17-15-31-63(65)70-64-32-16-18-34-66(64)71/h1-43H.
What are the key properties of 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole?
3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole has a molecular weight of 938.24 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 164757340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).