9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole

C60H38N2OSSi — CID 177291128

IUPAC9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3c(c2)Sc2ccccc2[Si]3(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H38N2OSSi/c1-6-21-51-45(16-1)46-17-2-7-22-52(46)61(51)41-29-31-43(32-30-41)65(44-33-34-50-49-20-5-10-25-55(49)63-56(50)38-44)59-27-12-11-26-57(59)64-58-37-40(28-35-60(58)65)39-14-13-15-42(36-39)62-53-23-8-3-18-47(53)48-19-4-9-24-54(48)62/h1-38H
InChIKeyRHNKDZDWPWSORD-UHFFFAOYSA-N
MW863.13 g/mol
LogP13.29
Rot. Bonds5

About 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole

9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole (PubChem CID 177291128) has the molecular formula C60H38N2OSSi and a molecular weight of 863.13 g/mol. Its IUPAC name is 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole
PubChem CID177291128
Molecular FormulaC60H38N2OSSi
Molecular Weight863.13 g/mol
Exact Mass862.25
IUPAC Name9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole
SMILESc1cc(-c2ccc3c(c2)Sc2ccccc2[Si]3(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H38N2OSSi/c1-6-21-51-45(16-1)46-17-2-7-22-52(46)61(51)41-29-31-43(32-30-41)65(44-33-34-50-49-20-5-10-25-55(49)63-56(50)38-44)59-27-12-11-26-57(59)64-58-37-40(28-35-60(58)65)39-14-13-15-42(36-39)62-53-23-8-3-18-47(53)48-19-4-9-24-54(48)62/h1-38H
InChIKeyRHNKDZDWPWSORD-UHFFFAOYSA-N
XLogP13.29
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.13
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
CID 177291361
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
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631973
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-carbazol-9-yl-6-[2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazol-9-yl]-9-(2-phenylphenyl)carbazole
CID 164757340
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
7-dibenzofuran-3-yl-18-(9-phenylcarbazol-3-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651906

Frequently Asked Questions

What is the IUPAC name of 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole (CID 177291128) is 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole is c1cc(-c2ccc3c(c2)Sc2ccccc2[Si]3(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole?
The InChIKey is RHNKDZDWPWSORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2OSSi/c1-6-21-51-45(16-1)46-17-2-7-22-52(46)61(51)41-29-31-43(32-30-41)65(44-33-34-50-49-20-5-10-25-55(49)63-56(50)38-44)59-27-12-11-26-57(59)64-58-37-40(28-35-60(58)65)39-14-13-15-42(36-39)62-53-23-8-3-18-47(53)48-19-4-9-24-54(48)62/h1-38H.
What are the key properties of 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole?
9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole has a molecular weight of 863.13 g/mol, XLogP of 13.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[10-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-ylbenzo[b][1,4]benzothiasilin-3-yl]phenyl]carbazole is sourced from PubChem (CID 177291128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).