3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide

C38H24O4S — CID 121441662

IUPAC3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
SMILESO=S1(=O)Cc2cc(-c3cccc4oc5ccccc5c34)ccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2C1
InChIInChI=1S/C38H24O4S/c39-43(40)21-25-16-15-24(29-10-6-14-36-38(29)31-8-2-4-12-34(31)42-36)20-32(25)27-18-17-23(19-26(27)22-43)28-9-5-13-35-37(28)30-7-1-3-11-33(30)41-35/h1-20H,21-22H2
InChIKeyRNZSSAAODKFHEI-UHFFFAOYSA-N
MW576.67 g/mol
LogP9.91
Rot. Bonds2

About 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide

3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide (PubChem CID 121441662) has the molecular formula C38H24O4S and a molecular weight of 576.67 g/mol. Its IUPAC name is 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide.

Molecular Properties

Compound Name3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
PubChem CID121441662
Molecular FormulaC38H24O4S
Molecular Weight576.67 g/mol
Exact Mass576.14
IUPAC Name3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
SMILESO=S1(=O)Cc2cc(-c3cccc4oc5ccccc5c34)ccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2C1
InChIInChI=1S/C38H24O4S/c39-43(40)21-25-16-15-24(29-10-6-14-36-38(29)31-8-2-4-12-34(31)42-36)20-32(25)27-18-17-23(19-26(27)22-43)28-9-5-13-35-37(28)30-7-1-3-11-33(30)41-35/h1-20H,21-22H2
InChIKeyRNZSSAAODKFHEI-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 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide with MolForge

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Related Compounds

10-dibenzofuran-4-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441666
10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441671
2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441711
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441577
2,10-di(dibenzofuran-1-yl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441918
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
9-(9-dibenzofuran-1-yl-6H-benzo[c]chromen-3-yl)carbazole
CID 163450703
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441614
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine
CID 162050726
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline
CID 170216790

Frequently Asked Questions

What is the IUPAC name of 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
The IUPAC name of 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide (CID 121441662) is 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide.
What is the SMILES notation for 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
The canonical SMILES for 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide is O=S1(=O)Cc2cc(-c3cccc4oc5ccccc5c34)ccc2-c2cc(-c3cccc4oc5ccccc5c34)ccc2C1.
What is the InChIKey of 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
The InChIKey is RNZSSAAODKFHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O4S/c39-43(40)21-25-16-15-24(29-10-6-14-36-38(29)31-8-2-4-12-34(31)42-36)20-32(25)27-18-17-23(19-26(27)22-43)28-9-5-13-35-37(28)30-7-1-3-11-33(30)41-35/h1-20H,21-22H2.
What are the key properties of 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide?
3,10-di(dibenzofuran-1-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 3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide is sourced from PubChem (CID 121441662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).