12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole

C40H24N2S — CID 167193290

IUPAC12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc2c(c1)sc1c2ccc2c3ccccc3n(-c3ccc4cc(-n5c6ccccc6c6ccccc65)ccc4c3)c21
InChIInChI=1S/C40H24N2S/c1-5-13-35-29(9-1)30-10-2-6-14-36(30)41(35)27-19-17-26-24-28(20-18-25(26)23-27)42-37-15-7-3-11-31(37)33-21-22-34-32-12-4-8-16-38(32)43-40(34)39(33)42/h1-24H
InChIKeyOGDXKVCHBSTKGE-UHFFFAOYSA-N
MW564.71 g/mol
LogP11.40
Rot. Bonds2

About 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole

12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole (PubChem CID 167193290) has the molecular formula C40H24N2S and a molecular weight of 564.71 g/mol. Its IUPAC name is 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
PubChem CID167193290
Molecular FormulaC40H24N2S
Molecular Weight564.71 g/mol
Exact Mass564.17
IUPAC Name12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
SMILESc1ccc2c(c1)sc1c2ccc2c3ccccc3n(-c3ccc4cc(-n5c6ccccc6c6ccccc65)ccc4c3)c21
InChIInChI=1S/C40H24N2S/c1-5-13-35-29(9-1)30-10-2-6-14-36(30)41(35)27-19-17-26-24-28(20-18-25(26)23-27)42-37-15-7-3-11-31(37)33-21-22-34-32-12-4-8-16-38(32)43-40(34)39(33)42/h1-24H
InChIKeyOGDXKVCHBSTKGE-UHFFFAOYSA-N
XLogP11.40
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]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

12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
3-naphthalen-2-yl-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602453
12-naphthalen-2-yl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 157242347
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
9-naphthalen-2-yl-19-thia-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737970
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
4-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[5-([1]benzothiolo[2,3-a]carbazol-12-yl)-2-cyanophenyl]benzonitrile
CID 169287426
7-carbazol-9-yl-23-phenyl-3-thia-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
CID 118545733
12-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167193410
12-phenanthren-9-yl-[1]benzothiolo[2,3-a]carbazole
CID 118502908
24-[6-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)naphthalen-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 129038150

Frequently Asked Questions

What is the IUPAC name of 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The IUPAC name of 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole (CID 167193290) is 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole.
What is the SMILES notation for 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The canonical SMILES for 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole is c1ccc2c(c1)sc1c2ccc2c3ccccc3n(-c3ccc4cc(-n5c6ccccc6c6ccccc65)ccc4c3)c21.
What is the InChIKey of 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole?
The InChIKey is OGDXKVCHBSTKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2S/c1-5-13-35-29(9-1)30-10-2-6-14-36(30)41(35)27-19-17-26-24-28(20-18-25(26)23-27)42-37-15-7-3-11-31(37)33-21-22-34-32-12-4-8-16-38(32)43-40(34)39(33)42/h1-24H.
What are the key properties of 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole?
12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole has a molecular weight of 564.71 g/mol, XLogP of 11.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole is sourced from PubChem (CID 167193290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).