4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene

C28H22S — CID 159708526

IUPAC4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene
SMILESCC(C)c1cccc2c1sc1c(-c3ccc4c(c3)-c3ccccc3C4)cccc12
InChIInChI=1S/C28H22S/c1-17(2)21-9-5-11-24-25-12-6-10-23(28(25)29-27(21)24)20-14-13-19-15-18-7-3-4-8-22(18)26(19)16-20/h3-14,16-17H,15H2,1-2H3
InChIKeyKZHDCZQKGDDJFA-UHFFFAOYSA-N
MW390.55 g/mol
LogP8.42
Rot. Bonds2

About 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene

4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene (PubChem CID 159708526) has the molecular formula C28H22S and a molecular weight of 390.55 g/mol. Its IUPAC name is 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene.

Molecular Properties

Compound Name4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene
PubChem CID159708526
Molecular FormulaC28H22S
Molecular Weight390.55 g/mol
Exact Mass390.14
IUPAC Name4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene
SMILESCC(C)c1cccc2c1sc1c(-c3ccc4c(c3)-c3ccccc3C4)cccc12
InChIInChI=1S/C28H22S/c1-17(2)21-9-5-11-24-25-12-6-10-23(28(25)29-27(21)24)20-14-13-19-15-18-7-3-4-8-22(18)26(19)16-20/h3-14,16-17H,15H2,1-2H3
InChIKeyKZHDCZQKGDDJFA-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9H-fluoren-3-yl)-6-(4-phenylphenyl)dibenzothiophene
CID 157122579
4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
CID 157122578
2,7-di(dibenzothiophen-4-yl)-10H-anthracen-9-one
CID 164765338
4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline
CID 176651591
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]carbazole;1,3-dibromobenzene;4-(9H-fluoren-3-yl)dibenzothiophene
CID 159985652
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
9-(9H-fluoren-3-yl)-10-naphthalen-2-ylanthracene
CID 143848174
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
3-(9H-fluoren-3-yl)-9-[4-[6-methyl-7-(2-phenylpropan-2-yl)dibenzothiophen-4-yl]phenyl]carbazole
CID 144578843
ethane;hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene
CID 160763232
4-[9-(9H-fluoren-1-yl)chrysen-3-yl]dibenzothiophene
CID 171590545
4-(9H-fluoren-2-yl)-2,8-diphenyldibenzothiophene
CID 160811980

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene?
The IUPAC name of 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene (CID 159708526) is 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene.
What is the SMILES notation for 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene?
The canonical SMILES for 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene is CC(C)c1cccc2c1sc1c(-c3ccc4c(c3)-c3ccccc3C4)cccc12.
What is the InChIKey of 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene?
The InChIKey is KZHDCZQKGDDJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22S/c1-17(2)21-9-5-11-24-25-12-6-10-23(28(25)29-27(21)24)20-14-13-19-15-18-7-3-4-8-22(18)26(19)16-20/h3-14,16-17H,15H2,1-2H3.
What are the key properties of 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene?
4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene has a molecular weight of 390.55 g/mol, XLogP of 8.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene is sourced from PubChem (CID 159708526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).