2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole

C35H20N2OS — CID 167452896

IUPAC2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole
SMILESc1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc4ccc5sc6ccccc6c5c4o3)ccc2c1
InChIInChI=1S/C35H20N2OS/c1-2-8-22-19-23(14-13-21(22)7-1)24-15-17-30-27(20-24)25-9-3-5-11-29(25)37(30)35-36-28-16-18-32-33(34(28)38-35)26-10-4-6-12-31(26)39-32/h1-20H
InChIKeyYGNWZXYRXHYJDV-UHFFFAOYSA-N
MW516.63 g/mol
LogP10.11
Rot. Bonds2

About 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole

2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole (PubChem CID 167452896) has the molecular formula C35H20N2OS and a molecular weight of 516.63 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole
PubChem CID167452896
Molecular FormulaC35H20N2OS
Molecular Weight516.63 g/mol
Exact Mass516.13
IUPAC Name2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole
SMILESc1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc4ccc5sc6ccccc6c5c4o3)ccc2c1
InChIInChI=1S/C35H20N2OS/c1-2-8-22-19-23(14-13-21(22)7-1)24-15-17-30-27(20-24)25-9-3-5-11-29(25)37(30)35-36-28-16-18-32-33(34(28)38-35)26-10-4-6-12-31(26)39-32/h1-20H
InChIKeyYGNWZXYRXHYJDV-UHFFFAOYSA-N
XLogP10.11
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole 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-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453652
2-(3-carbazol-9-ylcarbazol-9-yl)-5-naphthalen-2-yl-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453512
2-[3-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]carbazol-9-yl]-1,3-benzoxazole
CID 177074713
3-dibenzothiophen-1-yl-6-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118449069
2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole
CID 167453835
2-(4-carbazol-9-ylphenyl)-8-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453685
14-(3-naphthalen-2-ylphenyl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166844629
2-(9-dibenzothiophen-1-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243987
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847
3-dibenzofuran-2-yl-9-(4-naphthalen-1-ylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 159777371

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole (CID 167452896) is 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole is c1ccc2cc(-c3ccc4c(c3)c3ccccc3n4-c3nc4ccc5sc6ccccc6c5c4o3)ccc2c1.
What is the InChIKey of 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole?
The InChIKey is YGNWZXYRXHYJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N2OS/c1-2-8-22-19-23(14-13-21(22)7-1)24-15-17-30-27(20-24)25-9-3-5-11-29(25)37(30)35-36-28-16-18-32-33(34(28)38-35)26-10-4-6-12-31(26)39-32/h1-20H.
What are the key properties of 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole?
2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole has a molecular weight of 516.63 g/mol, XLogP of 10.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylcarbazol-9-yl)-[1]benzothiolo[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167452896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).