4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene

C43H26S — CID 118685467

IUPAC4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1C2c1cccc2c1sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12
InChIInChI=1S/C43H26S/c1-2-13-30-28(11-1)29-12-3-4-16-33(29)40-25-26(23-24-34(30)40)27-19-9-20-37-38-21-10-22-39(43(38)44-42(27)37)41-35-17-7-5-14-31(35)32-15-6-8-18-36(32)41/h1-25,41H
InChIKeyCHMJJATUYOCWSN-UHFFFAOYSA-N
MW574.75 g/mol
LogP12.34
Rot. Bonds2

About 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene

4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene (PubChem CID 118685467) has the molecular formula C43H26S and a molecular weight of 574.75 g/mol. Its IUPAC name is 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene.

Molecular Properties

Compound Name4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene
PubChem CID118685467
Molecular FormulaC43H26S
Molecular Weight574.75 g/mol
Exact Mass574.18
IUPAC Name4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1C2c1cccc2c1sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12
InChIInChI=1S/C43H26S/c1-2-13-30-28(11-1)29-12-3-4-16-33(29)40-25-26(23-24-34(30)40)27-19-9-20-37-38-21-10-22-39(43(38)44-42(27)37)41-35-17-7-5-14-31(35)32-15-6-8-18-36(32)41/h1-25,41H
InChIKeyCHMJJATUYOCWSN-UHFFFAOYSA-N
XLogP12.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.75
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
2-[3-(9H-fluoren-9-yl)phenyl]triphenylene
CID 162204348
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
4-[3-[3-(4-bromophenyl)phenyl]-9H-fluoren-9-yl]dibenzothiophene
CID 118462628
4-[2-(4-dibenzothiophen-4-yl-2-triphenylen-2-ylphenyl)-5-triphenylen-2-ylphenyl]-6-phenyldibenzothiophene
CID 146655582
4-phenyl-6-[5-[3-(6-triphenylen-2-yldibenzothiophen-4-yl)phenyl]triphenylen-2-yl]dibenzofuran
CID 123691716
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
3-(4-triphenylen-2-yldibenzothiophen-2-yl)-6-(3-triphenylen-2-ylphenyl)dibenzothiophene
CID 134492219

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene?
The IUPAC name of 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene (CID 118685467) is 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene.
What is the SMILES notation for 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene?
The canonical SMILES for 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene is c1ccc2c(c1)-c1ccccc1C2c1cccc2c1sc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cccc12.
What is the InChIKey of 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene?
The InChIKey is CHMJJATUYOCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26S/c1-2-13-30-28(11-1)29-12-3-4-16-33(29)40-25-26(23-24-34(30)40)27-19-9-20-37-38-21-10-22-39(43(38)44-42(27)37)41-35-17-7-5-14-31(35)32-15-6-8-18-36(32)41/h1-25,41H.
What are the key properties of 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene?
4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene has a molecular weight of 574.75 g/mol, XLogP of 12.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene is sourced from PubChem (CID 118685467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).