7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran

C40H22OS — CID 129100766

IUPAC7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5oc6cc(-c7cccc8c7sc7ccccc78)ccc6c45)ccc-2c13
InChIInChI=1S/C40H22OS/c1-2-9-26-25(8-1)29-12-6-13-30-27(20-21-32(26)38(29)30)31-14-7-16-35-39(31)34-19-18-23(22-36(34)41-35)24-11-5-15-33-28-10-3-4-17-37(28)42-40(24)33/h1-22H
InChIKeyAOPWCGSCZIOQDI-UHFFFAOYSA-N
MW550.68 g/mol
LogP12.09
Rot. Bonds2

About 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran

7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran (PubChem CID 129100766) has the molecular formula C40H22OS and a molecular weight of 550.68 g/mol. Its IUPAC name is 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran.

Molecular Properties

Compound Name7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran
PubChem CID129100766
Molecular FormulaC40H22OS
Molecular Weight550.68 g/mol
Exact Mass550.14
IUPAC Name7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran
SMILESc1ccc2c(c1)-c1cccc3c(-c4cccc5oc6cc(-c7cccc8c7sc7ccccc78)ccc6c45)ccc-2c13
InChIInChI=1S/C40H22OS/c1-2-9-26-25(8-1)29-12-6-13-30-27(20-21-32(26)38(29)30)31-14-7-16-35-39(31)34-19-18-23(22-36(34)41-35)24-11-5-15-33-28-10-3-4-17-37(28)42-40(24)33/h1-22H
InChIKeyAOPWCGSCZIOQDI-UHFFFAOYSA-N
XLogP12.09
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.68
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 176773463
2-[3-[9-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176773453
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-(3-dibenzothiophen-4-ylphenyl)-4-(9-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 139404320
6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191917
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482

Frequently Asked Questions

What is the IUPAC name of 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran?
The IUPAC name of 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran (CID 129100766) is 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran.
What is the SMILES notation for 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran?
The canonical SMILES for 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran is c1ccc2c(c1)-c1cccc3c(-c4cccc5oc6cc(-c7cccc8c7sc7ccccc78)ccc6c45)ccc-2c13.
What is the InChIKey of 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran?
The InChIKey is AOPWCGSCZIOQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22OS/c1-2-9-26-25(8-1)29-12-6-13-30-27(20-21-32(26)38(29)30)31-14-7-16-35-39(31)34-19-18-23(22-36(34)41-35)24-11-5-15-33-28-10-3-4-17-37(28)42-40(24)33/h1-22H.
What are the key properties of 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran?
7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran has a molecular weight of 550.68 g/mol, XLogP of 12.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzothiophen-4-yl-1-fluoranthen-3-yldibenzofuran is sourced from PubChem (CID 129100766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).