3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene

C35H36S — CID 134294416

IUPAC3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene
SMILESCCCCc1ccc2c(c1)sc1cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)ccc12
InChIInChI=1S/C35H36S/c1-7-8-9-22-10-14-28-29-16-12-24(20-33(29)36-32(28)18-22)23-11-15-26-27-17-13-25(34(2,3)4)21-31(27)35(5,6)30(26)19-23/h10-21H,7-9H2,1-6H3
InChIKeyIVLQBWXUPNWFJP-UHFFFAOYSA-N
MW488.74 g/mol
LogP10.67
Rot. Bonds4

About 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene

3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene (PubChem CID 134294416) has the molecular formula C35H36S and a molecular weight of 488.74 g/mol. Its IUPAC name is 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene.

Molecular Properties

Compound Name3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene
PubChem CID134294416
Molecular FormulaC35H36S
Molecular Weight488.74 g/mol
Exact Mass488.25
IUPAC Name3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene
SMILESCCCCc1ccc2c(c1)sc1cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)ccc12
InChIInChI=1S/C35H36S/c1-7-8-9-22-10-14-28-29-16-12-24(20-33(29)36-32(28)18-22)23-11-15-26-27-17-13-25(34(2,3)4)21-31(27)35(5,6)30(26)19-23/h10-21H,7-9H2,1-6H3
InChIKeyIVLQBWXUPNWFJP-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.74
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 123621511
3-(3-butyl-7,7-dimethylbenzo[g]fluoren-9-yl)pentan-3-amine
CID 123256289
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
3-(9,9-dimethylfluoren-2-yl)-7-[4-[30-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]phenyl]dibenzothiophene
CID 146593510
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
5-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-3-hexyl-2-[4-hexyl-5-(2-methylbutan-2-yl)thiophen-2-yl]thiophene
CID 70911637
3-bromo-7-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 130250823
3-[4-[7-(6-butyl-1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]phenyl]pentan-3-amine
CID 143584898
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 156827507
3-[1,5-dibutyl-7'-[7-(4-ethylphenyl)dibenzothiophen-3-yl]spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]-2'-yl]-7-methyldibenzothiophene
CID 130409804
2,6-dibutyl-4,4-dimethylindeno[1,2-b]thiophene
CID 58202987
3-[7-[7-tert-butyl-3-[7-(3-hydroxypropyl)-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propan-1-ol
CID 90400395

Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene?
The IUPAC name of 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene (CID 134294416) is 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene.
What is the SMILES notation for 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene?
The canonical SMILES for 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene is CCCCc1ccc2c(c1)sc1cc(-c3ccc4c(c3)C(C)(C)c3cc(C(C)(C)C)ccc3-4)ccc12.
What is the InChIKey of 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene?
The InChIKey is IVLQBWXUPNWFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36S/c1-7-8-9-22-10-14-28-29-16-12-24(20-33(29)36-32(28)18-22)23-11-15-26-27-17-13-25(34(2,3)4)21-31(27)35(5,6)30(26)19-23/h10-21H,7-9H2,1-6H3.
What are the key properties of 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene?
3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene has a molecular weight of 488.74 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-(7-tert-butyl-9,9-dimethylfluoren-2-yl)dibenzothiophene is sourced from PubChem (CID 134294416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).