2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol

C34H20OS — CID 143904910

IUPAC2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol
SMILESSc1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C34H20OS/c36-33-17-13-20(18-30(33)21-12-14-26-25-8-3-4-11-31(25)35-32(26)19-21)22-15-16-29-24-7-2-1-6-23(24)28-10-5-9-27(22)34(28)29/h1-19,36H
InChIKeyWVRBGEJJMYHZEA-UHFFFAOYSA-N
MW476.60 g/mol
LogP10.01
Rot. Bonds2

About 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol

2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol (PubChem CID 143904910) has the molecular formula C34H20OS and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol
PubChem CID143904910
Molecular FormulaC34H20OS
Molecular Weight476.60 g/mol
Exact Mass476.12
IUPAC Name2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol
SMILESSc1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1-c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C34H20OS/c36-33-17-13-20(18-30(33)21-12-14-26-25-8-3-4-11-31(25)35-32(26)19-21)22-15-16-29-24-7-2-1-6-23(24)28-10-5-9-27(22)34(28)29/h1-19,36H
InChIKeyWVRBGEJJMYHZEA-UHFFFAOYSA-N
XLogP10.01
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-dibenzofuran-3-yl-1-fluoranthen-3-yldibenzofuran
CID 129100596
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
7-dibenzofuran-4-yl-1-fluoranthen-3-yldibenzofuran
CID 129100580
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
3-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
6-dibenzofuran-3-yl-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 137492261
8-fluoranthen-3-yl-1-methyldibenzofuran
CID 145447322
8-fluoranthen-3-yl-1-phenanthren-2-yldibenzofuran
CID 129100711
2-bromo-8-fluoranthen-3-yldibenzofuran
CID 129100178
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 155475515
1-dibenzofuran-2-yl-6-fluoranthen-3-yldibenzofuran
CID 129100765
2-fluoranthen-3-yl-6-triphenylen-2-yldibenzofuran
CID 129100575

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol?
The IUPAC name of 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol (CID 143904910) is 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol?
The canonical SMILES for 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol is Sc1ccc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc1-c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol?
The InChIKey is WVRBGEJJMYHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20OS/c36-33-17-13-20(18-30(33)21-12-14-26-25-8-3-4-11-31(25)35-32(26)19-21)22-15-16-29-24-7-2-1-6-23(24)28-10-5-9-27(22)34(28)29/h1-19,36H.
What are the key properties of 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol?
2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol has a molecular weight of 476.60 g/mol, XLogP of 10.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-fluoranthen-3-ylbenzenethiol is sourced from PubChem (CID 143904910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).