2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene

C30H16N4O2S2 — CID 174256393

IUPAC2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
SMILESC1=Cc2c(oc3cc(-c4c5c(c(-c6ccc7c(c6)oc6ccccc67)c6nsnc46)N=S=N5)ccc23)CC1
InChIInChI=1S/C30H16N4O2S2/c1-3-7-21-17(5-1)19-11-9-15(13-23(19)35-21)25-27-29(33-37-31-27)26(30-28(25)32-38-34-30)16-10-12-20-18-6-2-4-8-22(18)36-24(20)14-16/h1-3,5-7,9-14H,4,8H2
InChIKeyYMITUZPPELDKLN-UHFFFAOYSA-N
MW528.62 g/mol
LogP9.36
Rot. Bonds2

About 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene

2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene (PubChem CID 174256393) has the molecular formula C30H16N4O2S2 and a molecular weight of 528.62 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
PubChem CID174256393
Molecular FormulaC30H16N4O2S2
Molecular Weight528.62 g/mol
Exact Mass528.07
IUPAC Name2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene
SMILESC1=Cc2c(oc3cc(-c4c5c(c(-c6ccc7c(c6)oc6ccccc67)c6nsnc46)N=S=N5)ccc23)CC1
InChIInChI=1S/C30H16N4O2S2/c1-3-7-21-17(5-1)19-11-9-15(13-23(19)35-21)25-27-29(33-37-31-27)26(30-28(25)32-38-34-30)16-10-12-20-18-6-2-4-8-22(18)36-24(20)14-16/h1-3,5-7,9-14H,4,8H2
InChIKeyYMITUZPPELDKLN-UHFFFAOYSA-N
XLogP9.36
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene with MolForge

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Related Compounds

4,9-di(dibenzofuran-3-yl)-6,7-diphenyl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 174253847
6-[4-(10-phenylanthracen-9-yl)phenyl]-9,22-dioxahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3(8),4,6,11,13,15(23),16(21),17-decaene
CID 163586642
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
9-[2-[3-[2-(6-oxobenzo[c]chromen-9-yl)phenyl]-5-[2-(6-oxo-3,4-dihydrobenzo[c]chromen-9-yl)phenyl]phenyl]phenyl]benzo[c]chromen-6-one
CID 145132426
6,7-dihydrodibenzofuran-3-amine
CID 146429939
7-(10-dibenzofuran-3-yl-1,2-dihydroanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559674
2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007473
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),18-octaene
CID 149414760
4-bromo-7-[4-[3,6-di(dibenzofuran-3-yl)carbazol-9-yl]phenyl]-2,1,3-benzothiadiazole
CID 146251196
2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 167008000

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene?
The IUPAC name of 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene (CID 174256393) is 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene.
What is the SMILES notation for 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene?
The canonical SMILES for 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene is C1=Cc2c(oc3cc(-c4c5c(c(-c6ccc7c(c6)oc6ccccc67)c6nsnc46)N=S=N5)ccc23)CC1.
What is the InChIKey of 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene?
The InChIKey is YMITUZPPELDKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4O2S2/c1-3-7-21-17(5-1)19-11-9-15(13-23(19)35-21)25-27-29(33-37-31-27)26(30-28(25)32-38-34-30)16-10-12-20-18-6-2-4-8-22(18)36-24(20)14-16/h1-3,5-7,9-14H,4,8H2.
What are the key properties of 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene?
2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene has a molecular weight of 528.62 g/mol, XLogP of 9.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-8-(6,7-dihydrodibenzofuran-3-yl)-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene is sourced from PubChem (CID 174256393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).