2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole

C37H24N2S2 — CID 167452942

IUPAC2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5Nc6c(ccc7sc8ccccc8c67)S5)cc4)cc32)cc1
InChIInChI=1S/C37H24N2S2/c1-2-8-26(9-3-1)39-30-12-6-4-10-27(30)28-19-18-25(22-31(28)39)23-14-16-24(17-15-23)37-38-36-34(41-37)21-20-33-35(36)29-11-5-7-13-32(29)40-33/h1-22,37-38H
InChIKeyOPOFKIXKBFWIBF-UHFFFAOYSA-N
MW560.75 g/mol
LogP11.03
Rot. Bonds3

About 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole

2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole (PubChem CID 167452942) has the molecular formula C37H24N2S2 and a molecular weight of 560.75 g/mol. Its IUPAC name is 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
PubChem CID167452942
Molecular FormulaC37H24N2S2
Molecular Weight560.75 g/mol
Exact Mass560.14
IUPAC Name2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5Nc6c(ccc7sc8ccccc8c67)S5)cc4)cc32)cc1
InChIInChI=1S/C37H24N2S2/c1-2-8-26(9-3-1)39-30-12-6-4-10-27(30)28-19-18-25(22-31(28)39)23-14-16-24(17-15-23)37-38-36-34(41-37)21-20-33-35(36)29-11-5-7-13-32(29)40-33/h1-22,37-38H
InChIKeyOPOFKIXKBFWIBF-UHFFFAOYSA-N
XLogP11.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.75
LogP ≤ 511.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole 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

2-(4-benzo[b]carbazol-5-ylphenyl)-8-phenyl-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167453324
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
2-(4-carbazol-9-ylnaphthalen-1-yl)-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167452842
2-(4-carbazol-9-ylphenyl)-2,3-dihydro-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 167453359
2-phenyl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)pyrimidin-2-yl]-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 145261293
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042092
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
14-methyl-17-(5-methyl-7-phenylindolo[2,3-b]carbazol-3-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 170420827
2-phenyl-9-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 126613502
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole (CID 167452942) is 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(C5Nc6c(ccc7sc8ccccc8c67)S5)cc4)cc32)cc1.
What is the InChIKey of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
The InChIKey is OPOFKIXKBFWIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2S2/c1-2-8-26(9-3-1)39-30-12-6-4-10-27(30)28-19-18-25(22-31(28)39)23-14-16-24(17-15-23)37-38-36-34(41-37)21-20-33-35(36)29-11-5-7-13-32(29)40-33/h1-22,37-38H.
What are the key properties of 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole?
2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole has a molecular weight of 560.75 g/mol, XLogP of 11.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-phenylcarbazol-2-yl)phenyl]-1,2-dihydro-[1]benzothiolo[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 167452942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).