12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole

C36H22N2S — CID 118503017

IUPAC12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
InChIInChI=1S/C36H22N2S/c1-5-16-31-25(12-1)26-13-2-6-17-32(26)37(31)23-10-9-11-24(22-23)38-33-18-7-3-14-27(33)29-20-21-30-28-15-4-8-19-34(28)39-36(30)35(29)38/h1-22H
InChIKeyDSWISIWOSCVILK-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.25
Rot. Bonds2

About 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole

12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 118503017) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
PubChem CID118503017
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
InChIInChI=1S/C36H22N2S/c1-5-16-31-25(12-1)26-13-2-6-17-32(26)37(31)23-10-9-11-24(22-23)38-33-18-7-3-14-27(33)29-20-21-30-28-15-4-8-19-34(28)39-36(30)35(29)38/h1-22H
InChIKeyDSWISIWOSCVILK-UHFFFAOYSA-N
XLogP10.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 167193290
3,8-di(carbazol-9-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 67952823
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
15-phenyl-11-[3-(4-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 161459940
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 118502961
4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[5-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 169287426
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
3-(4-carbazol-9-yl-2-methylphenyl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 121287072
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
11-(4-naphthalen-2-ylphenyl)-15-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;11-naphthalen-2-yl-15-phenyl-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene;15-phenyl-11-[4-(3-phenylphenyl)phenyl]-18-thia-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 158473976
12-[3-[2-(2,3-dihydrocarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 126695508
12-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167193410

Frequently Asked Questions

What is the IUPAC name of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole (CID 118503017) is 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole is c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1.
What is the InChIKey of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is DSWISIWOSCVILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-5-16-31-25(12-1)26-13-2-6-17-32(26)37(31)23-10-9-11-24(22-23)38-33-18-7-3-14-27(33)29-20-21-30-28-15-4-8-19-34(28)39-36(30)35(29)38/h1-22H.
What are the key properties of 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole?
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 514.65 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 118503017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).