9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole

C42H27NSSi — CID 153173688

IUPAC9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole
SMILESc1ccc2c(c1)Sc1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1[Si]21c2ccccc2-c2ccccc21
InChIInChI=1S/C42H27NSSi/c1-5-15-35-31(11-1)32-12-2-6-16-36(32)43(35)30-24-21-28(22-25-30)29-23-26-38-42(27-29)45(41-20-10-7-17-37(41)44-38)39-18-8-3-13-33(39)34-14-4-9-19-40(34)45/h1-27H
InChIKeyWESRGZJMPUARIJ-UHFFFAOYSA-N
MW605.84 g/mol
LogP8.27
Rot. Bonds2

About 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole

9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole (PubChem CID 153173688) has the molecular formula C42H27NSSi and a molecular weight of 605.84 g/mol. Its IUPAC name is 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole
PubChem CID153173688
Molecular FormulaC42H27NSSi
Molecular Weight605.84 g/mol
Exact Mass605.16
IUPAC Name9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole
SMILESc1ccc2c(c1)Sc1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1[Si]21c2ccccc2-c2ccccc21
InChIInChI=1S/C42H27NSSi/c1-5-15-35-31(11-1)32-12-2-6-16-36(32)43(35)30-24-21-28(22-25-30)29-23-26-38-42(27-29)45(41-20-10-7-17-37(41)44-38)39-18-8-3-13-33(39)34-14-4-9-19-40(34)45/h1-27H
InChIKeyWESRGZJMPUARIJ-UHFFFAOYSA-N
XLogP8.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.84
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-9-[4-(8-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-2-yl)phenyl]carbazole
CID 155784537
9,9-dimethyl-10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)acridine;9-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)carbazole;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenothiazine;10-(4-spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-ylphenyl)phenoxazine
CID 157232639
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
9-spiro[benzo[b][1,4]benzothiasiline-10,10'-benzo[b][1,4]benzoxasiline]-2'-ylcarbazole
CID 147520153
5-[4-[4-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]benzo[b]carbazole
CID 170041535
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
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-[4-(3-dibenzofuran-2-yl-10-naphthalen-1-ylbenzo[b][1,4]benzothiasilin-10-yl)phenyl]carbazole
CID 177291361

Frequently Asked Questions

What is the IUPAC name of 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole?
The IUPAC name of 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole (CID 153173688) is 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole.
What is the SMILES notation for 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole?
The canonical SMILES for 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole is c1ccc2c(c1)Sc1ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc1[Si]21c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole?
The InChIKey is WESRGZJMPUARIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NSSi/c1-5-15-35-31(11-1)32-12-2-6-16-36(32)43(35)30-24-21-28(22-25-30)29-23-26-38-42(27-29)45(41-20-10-7-17-37(41)44-38)39-18-8-3-13-33(39)34-14-4-9-19-40(34)45/h1-27H.
What are the key properties of 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole?
9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole has a molecular weight of 605.84 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-2-ylphenyl)carbazole is sourced from PubChem (CID 153173688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).