2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide

C38H24O4S — CID 121441711

IUPAC2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
SMILESO=S1(=O)Cc2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2C1
InChIInChI=1S/C38H24O4S/c39-43(40)21-27-11-9-23(25-13-15-37-33(19-25)29-5-1-3-7-35(29)41-37)17-31(27)32-18-24(10-12-28(32)22-43)26-14-16-38-34(20-26)30-6-2-4-8-36(30)42-38/h1-20H,21-22H2
InChIKeyWXYRLYGOPFRYHB-UHFFFAOYSA-N
MW576.67 g/mol
LogP9.91
Rot. Bonds2

About 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide

2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide (PubChem CID 121441711) has the molecular formula C38H24O4S and a molecular weight of 576.67 g/mol. Its IUPAC name is 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide.

Molecular Properties

Compound Name2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
PubChem CID121441711
Molecular FormulaC38H24O4S
Molecular Weight576.67 g/mol
Exact Mass576.14
IUPAC Name2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
SMILESO=S1(=O)Cc2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2C1
InChIInChI=1S/C38H24O4S/c39-43(40)21-27-11-9-23(25-13-15-37-33(19-25)29-5-1-3-7-35(29)41-37)17-31(27)32-18-24(10-12-28(32)22-43)26-14-16-38-34(20-26)30-6-2-4-8-36(30)42-38/h1-20H,21-22H2
InChIKeyWXYRLYGOPFRYHB-UHFFFAOYSA-N
XLogP9.91
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.67
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide with MolForge

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Related Compounds

10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441671
3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441662
10-dibenzofuran-2-yl-3-(3-isocyanocarbazol-9-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 140727871
10-dibenzofuran-4-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441666
2-(2,6,7-triphenyl-9H-fluoren-3-yl)dibenzofuran
CID 158711757
10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121442011
2-(16-dibenzofuran-2-yl-5-octacyclo[18.16.0.02,7.08,13.014,19.022,35.023,28.029,34]hexatriaconta-1(20),2(7),3,5,8,10,12,14(19),15,17,21,23,25,27,29,31,33,35-octadecaenyl)dibenzofuran
CID 134428938
2,10-di(dibenzofuran-2-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441915
4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
CID 121441625
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
10-dibenzofuran-3-yl-3-(3-isocyanocarbazol-9-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 140727967
2-(4-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172

Frequently Asked Questions

What is the IUPAC name of 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
The IUPAC name of 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide (CID 121441711) is 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide.
What is the SMILES notation for 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
The canonical SMILES for 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide is O=S1(=O)Cc2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2cc(-c3ccc4oc5ccccc5c4c3)ccc2C1.
What is the InChIKey of 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
The InChIKey is WXYRLYGOPFRYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O4S/c39-43(40)21-27-11-9-23(25-13-15-37-33(19-25)29-5-1-3-7-35(29)41-37)17-31(27)32-18-24(10-12-28(32)22-43)26-14-16-38-34(20-26)30-6-2-4-8-36(30)42-38/h1-20H,21-22H2.
What are the key properties of 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide has a molecular weight of 576.67 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide is sourced from PubChem (CID 121441711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).