3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene

C41H50 — CID 87195698

IUPAC3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene
SMILESCC(C)(C)c1ccc(-c2cc3c(c(C(C)(C)C)c2)-c2cc(C(C)(C)C)c(-c4ccc(C(C)(C)C)cc4)cc2C3)cc1
InChIInChI=1S/C41H50/c1-38(2,3)31-17-13-26(14-18-31)28-21-30-22-29-23-33(27-15-19-32(20-16-27)39(4,5)6)35(40(7,8)9)25-34(29)37(30)36(24-28)41(10,11)12/h13-21,23-25H,22H2,1-12H3
InChIKeyGAOHSBIYKBVNKD-UHFFFAOYSA-N
MW542.85 g/mol
LogP11.78
Rot. Bonds2

About 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene

3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene (PubChem CID 87195698) has the molecular formula C41H50 and a molecular weight of 542.85 g/mol. Its IUPAC name is 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene.

Molecular Properties

Compound Name3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene
PubChem CID87195698
Molecular FormulaC41H50
Molecular Weight542.85 g/mol
Exact Mass542.39
IUPAC Name3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene
SMILESCC(C)(C)c1ccc(-c2cc3c(c(C(C)(C)C)c2)-c2cc(C(C)(C)C)c(-c4ccc(C(C)(C)C)cc4)cc2C3)cc1
InChIInChI=1S/C41H50/c1-38(2,3)31-17-13-26(14-18-31)28-21-30-22-29-23-33(27-15-19-32(20-16-27)39(4,5)6)35(40(7,8)9)25-34(29)37(30)36(24-28)41(10,11)12/h13-21,23-25H,22H2,1-12H3
InChIKeyGAOHSBIYKBVNKD-UHFFFAOYSA-N
XLogP11.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.85
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-ditert-butyl-2,7-diphenyl-9H-fluorene
CID 157418767
3,6-ditert-butyl-2,7-bis[4-(trifluoromethyl)phenyl]-9H-fluorene;dichlorozirconium
CID 174719542
2-tert-butyl-7-(4-tert-butyl-5,6-dimethylidenecyclohexa-1,3-dien-1-yl)-9H-fluorene;ethane
CID 144503486
2-tert-butyl-6-[3-tert-butyl-2-hydroxy-5-[4-(trifluoromethyl)phenyl]phenyl]-4-[4-(trifluoromethyl)phenyl]phenol
CID 135063895
1,8-dibromo-3,6-bis(4-tert-butylphenyl)pyrene
CID 132933834
2,7-bis[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dioctoxy-9H-fluorene
CID 158084210
[3-[4,5-bis(4-tert-butylphenyl)-2-(2,2,4,4-tetramethyl-3-phosphanylpentan-3-yl)phenyl]-2,2,4,4-tetramethylpentan-3-yl]phosphane
CID 87464843
3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;zirconium(3+);dibromide
CID 174488507
3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene
CID 67048776
1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene
CID 165165056
3-bromo-7,10-ditert-butyltricyclo[4.2.2.22,5]dodeca-1(9),2,4,6(10),7,11-hexaene
CID 56636471
2-tert-butyl-5-(7-tert-butyl-9H-fluoren-2-yl)-1H-imidazole
CID 118357276

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene?
The IUPAC name of 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene (CID 87195698) is 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene.
What is the SMILES notation for 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene?
The canonical SMILES for 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene is CC(C)(C)c1ccc(-c2cc3c(c(C(C)(C)C)c2)-c2cc(C(C)(C)C)c(-c4ccc(C(C)(C)C)cc4)cc2C3)cc1.
What is the InChIKey of 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene?
The InChIKey is GAOHSBIYKBVNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H50/c1-38(2,3)31-17-13-26(14-18-31)28-21-30-22-29-23-33(27-15-19-32(20-16-27)39(4,5)6)35(40(7,8)9)25-34(29)37(30)36(24-28)41(10,11)12/h13-21,23-25H,22H2,1-12H3.
What are the key properties of 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene?
3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene has a molecular weight of 542.85 g/mol, XLogP of 11.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene is sourced from PubChem (CID 87195698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).