6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene

C38H24S — CID 166954900

IUPAC6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene
SMILESC1=Cc2sc3c(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)cccc3c2CC1
InChIInChI=1S/C38H24S/c1-2-9-31-30(8-1)33-12-5-7-27-21-28(22-35(31)37(27)33)25-16-15-24-20-26(18-17-23(24)19-25)29-11-6-13-34-32-10-3-4-14-36(32)39-38(29)34/h1-2,4-9,11-22H,3,10H2
InChIKeySFPOCBXXFPWMLX-UHFFFAOYSA-N
MW512.68 g/mol
LogP11.15
Rot. Bonds2

About 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene

6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene (PubChem CID 166954900) has the molecular formula C38H24S and a molecular weight of 512.68 g/mol. Its IUPAC name is 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene.

Molecular Properties

Compound Name6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene
PubChem CID166954900
Molecular FormulaC38H24S
Molecular Weight512.68 g/mol
Exact Mass512.16
IUPAC Name6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene
SMILESC1=Cc2sc3c(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)cccc3c2CC1
InChIInChI=1S/C38H24S/c1-2-9-31-30(8-1)33-12-5-7-27-21-28(22-35(31)37(27)33)25-16-15-24-20-26(18-17-23(24)19-25)29-11-6-13-34-32-10-3-4-14-36(32)39-38(29)34/h1-2,4-9,11-22H,3,10H2
InChIKeySFPOCBXXFPWMLX-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.68
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]phenyl]dibenzothiophene
CID 70991547
11-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169038040
6-(9-naphthalen-2-ylchrysen-3-yl)-3,4-dihydrodibenzothiophene
CID 123548738
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
3-[4-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-6-methyl-3-azahexacyclo[13.6.2.02,10.04,9.012,22.019,23]tricosa-1(22),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane
CID 145347717
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
21-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140801754
9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole
CID 130295327
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
2-fluoranthen-2-yl-8-phenanthren-3-yldibenzofuran
CID 129100719
21-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-19-[3-(8,9-dihydrodibenzothiophen-4-yl)phenyl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142569556
2-dibenzothiophen-1-yl-4-[7-(8,9-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170011861

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene?
The IUPAC name of 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene (CID 166954900) is 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene.
What is the SMILES notation for 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene?
The canonical SMILES for 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene is C1=Cc2sc3c(-c4ccc5cc(-c6cc7c8c(cccc8c6)-c6ccccc6-7)ccc5c4)cccc3c2CC1.
What is the InChIKey of 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene?
The InChIKey is SFPOCBXXFPWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24S/c1-2-9-31-30(8-1)33-12-5-7-27-21-28(22-35(31)37(27)33)25-16-15-24-20-26(18-17-23(24)19-25)29-11-6-13-34-32-10-3-4-14-36(32)39-38(29)34/h1-2,4-9,11-22H,3,10H2.
What are the key properties of 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene?
6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene has a molecular weight of 512.68 g/mol, XLogP of 11.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoranthen-2-ylnaphthalen-2-yl)-1,2-dihydrodibenzothiophene is sourced from PubChem (CID 166954900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).