4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran

C38H24O2S — CID 121441519

IUPAC4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3CSC4)cccc12
InChIInChI=1S/C38H24O2S/c1-3-13-35-29(7-1)31-11-5-9-27(37(31)39-35)23-15-17-25-21-41-22-26-18-16-24(20-34(26)33(25)19-23)28-10-6-12-32-30-8-2-4-14-36(30)40-38(28)32/h1-20H,21-22H2
InChIKeyGCXLVFHEQKVKKD-UHFFFAOYSA-N
MW544.68 g/mol
LogP11.23
Rot. Bonds2

About 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran

4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran (PubChem CID 121441519) has the molecular formula C38H24O2S and a molecular weight of 544.68 g/mol. Its IUPAC name is 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran.

Molecular Properties

Compound Name4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran
PubChem CID121441519
Molecular FormulaC38H24O2S
Molecular Weight544.68 g/mol
Exact Mass544.15
IUPAC Name4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3CSC4)cccc12
InChIInChI=1S/C38H24O2S/c1-3-13-35-29(7-1)31-11-5-9-27(37(31)39-35)23-15-17-25-21-41-22-26-18-16-24(20-34(26)33(25)19-23)28-10-6-12-32-30-8-2-4-14-36(30)40-38(28)32/h1-20H,21-22H2
InChIKeyGCXLVFHEQKVKKD-UHFFFAOYSA-N
XLogP11.23
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.68
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran with MolForge

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Related Compounds

10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine
CID 121441600
10-dibenzofuran-4-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441666
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(4-bromophenyl)dibenzofuran
CID 59022098
9-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole;9-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-3-isocyanocarbazole
CID 159458201
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441507
4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156552973
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
16-dibenzofuran-4-yl-3-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8,10,12,14(19),15,17,20,22-dodecaene
CID 140920425
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran?
The IUPAC name of 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran (CID 121441519) is 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran.
What is the SMILES notation for 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran?
The canonical SMILES for 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran is c1ccc2c(c1)oc1c(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3CSC4)cccc12.
What is the InChIKey of 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran?
The InChIKey is GCXLVFHEQKVKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O2S/c1-3-13-35-29(7-1)31-11-5-9-27(37(31)39-35)23-15-17-25-21-41-22-26-18-16-24(20-34(26)33(25)19-23)28-10-6-12-32-30-8-2-4-14-36(30)40-38(28)32/h1-20H,21-22H2.
What are the key properties of 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran?
4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran has a molecular weight of 544.68 g/mol, XLogP of 11.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran is sourced from PubChem (CID 121441519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).