7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole

C35H21NOS — CID 138633704

IUPAC7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole
SMILESc1ccc(-c2nc3c(ccc4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc43)s2)cc1
InChIInChI=1S/C35H21NOS/c1-2-8-22(9-3-1)35-36-33-27-18-16-24(21-26(27)17-19-32(33)38-35)23-10-6-11-25(20-23)28-13-7-14-30-29-12-4-5-15-31(29)37-34(28)30/h1-21H
InChIKeyVNABBPSWBUOWAN-UHFFFAOYSA-N
MW503.63 g/mol
LogP10.35
Rot. Bonds3

About 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole

7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole (PubChem CID 138633704) has the molecular formula C35H21NOS and a molecular weight of 503.63 g/mol. Its IUPAC name is 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole.

Molecular Properties

Compound Name7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole
PubChem CID138633704
Molecular FormulaC35H21NOS
Molecular Weight503.63 g/mol
Exact Mass503.13
IUPAC Name7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole
SMILESc1ccc(-c2nc3c(ccc4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc43)s2)cc1
InChIInChI=1S/C35H21NOS/c1-2-8-22(9-3-1)35-36-33-27-18-16-24(21-26(27)17-19-32(33)38-35)23-10-6-11-25(20-23)28-13-7-14-30-29-12-4-5-15-31(29)37-34(28)30/h1-21H
InChIKeyVNABBPSWBUOWAN-UHFFFAOYSA-N
XLogP10.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[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

7-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzothiazole
CID 138633662
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411656
18-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-11-oxa-6-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086127
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]aniline
CID 171411617
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411885
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411343
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[g][1,3]benzoxazole;7-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-7-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[g][1,3]benzoxazole;2-phenyl-7-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 160756920
10-[3-[3-(6-dibenzofuran-4-ylnaphthalen-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063662
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-4-amine
CID 167124911
8-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167124525

Frequently Asked Questions

What is the IUPAC name of 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole?
The IUPAC name of 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole (CID 138633704) is 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole.
What is the SMILES notation for 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole?
The canonical SMILES for 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole is c1ccc(-c2nc3c(ccc4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc43)s2)cc1.
What is the InChIKey of 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole?
The InChIKey is VNABBPSWBUOWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NOS/c1-2-8-22(9-3-1)35-36-33-27-18-16-24(21-26(27)17-19-32(33)38-35)23-10-6-11-25(20-23)28-13-7-14-30-29-12-4-5-15-31(29)37-34(28)30/h1-21H.
What are the key properties of 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole?
7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole has a molecular weight of 503.63 g/mol, XLogP of 10.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[e][1,3]benzothiazole is sourced from PubChem (CID 138633704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).