12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole

C35H20N2S2 — CID 118503126

IUPAC12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)nc3)cc12
InChIInChI=1S/C35H20N2S2/c1-4-10-28-23(7-1)25-15-17-32-34(26-9-3-6-12-30(26)39-32)35(25)37(28)33-18-14-22(20-36-33)21-13-16-31-27(19-21)24-8-2-5-11-29(24)38-31/h1-20H
InChIKeyHLIPKAUVTZXVAR-UHFFFAOYSA-N
MW532.69 g/mol
LogP10.58
Rot. Bonds2

About 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole

12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole (PubChem CID 118503126) has the molecular formula C35H20N2S2 and a molecular weight of 532.69 g/mol. Its IUPAC name is 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole
PubChem CID118503126
Molecular FormulaC35H20N2S2
Molecular Weight532.69 g/mol
Exact Mass532.11
IUPAC Name12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc2c(c1)sc1ccc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)nc3)cc12
InChIInChI=1S/C35H20N2S2/c1-4-10-28-23(7-1)25-15-17-32-34(26-9-3-6-12-30(26)39-32)35(25)37(28)33-18-14-22(20-36-33)21-13-16-31-27(19-21)24-8-2-5-11-29(24)38-31/h1-20H
InChIKeyHLIPKAUVTZXVAR-UHFFFAOYSA-N
XLogP10.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193517
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
CID 174140279
CID 174140279
12-[4-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192765
5-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290884
3-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-c]pyridine
CID 59413753
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193191
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
2-dibenzothiophen-2-yl-12-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 163940278
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502886
12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068

Frequently Asked Questions

What is the IUPAC name of 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole (CID 118503126) is 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole is c1ccc2c(c1)sc1ccc(-c3ccc(-n4c5ccccc5c5ccc6sc7ccccc7c6c54)nc3)cc12.
What is the InChIKey of 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is HLIPKAUVTZXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2S2/c1-4-10-28-23(7-1)25-15-17-32-34(26-9-3-6-12-30(26)39-32)35(25)37(28)33-18-14-22(20-36-33)21-13-16-31-27(19-21)24-8-2-5-11-29(24)38-31/h1-20H.
What are the key properties of 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole?
12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 532.69 g/mol, XLogP of 10.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(5-dibenzothiophen-2-yl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 118503126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).