3,5-ditert-butyl-2,7-diphenyl-9H-fluorene

C33H34 — CID 157418767

IUPAC3,5-ditert-butyl-2,7-diphenyl-9H-fluorene
SMILESCC(C)(C)c1cc2c(cc1-c1ccccc1)Cc1cc(-c3ccccc3)cc(C(C)(C)C)c1-2
InChIInChI=1S/C33H34/c1-32(2,3)29-21-28-25(19-27(29)23-15-11-8-12-16-23)18-26-17-24(22-13-9-7-10-14-22)20-30(31(26)28)33(4,5)6/h7-17,19-21H,18H2,1-6H3
InChIKeyLPOKMOAXSYZLKH-UHFFFAOYSA-N
MW430.64 g/mol
LogP9.19
Rot. Bonds2

About 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene

3,5-ditert-butyl-2,7-diphenyl-9H-fluorene (PubChem CID 157418767) has the molecular formula C33H34 and a molecular weight of 430.64 g/mol. Its IUPAC name is 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene.

Molecular Properties

Compound Name3,5-ditert-butyl-2,7-diphenyl-9H-fluorene
PubChem CID157418767
Molecular FormulaC33H34
Molecular Weight430.64 g/mol
Exact Mass430.27
IUPAC Name3,5-ditert-butyl-2,7-diphenyl-9H-fluorene
SMILESCC(C)(C)c1cc2c(cc1-c1ccccc1)Cc1cc(-c3ccccc3)cc(C(C)(C)C)c1-2
InChIInChI=1S/C33H34/c1-32(2,3)29-21-28-25(19-27(29)23-15-11-8-12-16-23)18-26-17-24(22-13-9-7-10-14-22)20-30(31(26)28)33(4,5)6/h7-17,19-21H,18H2,1-6H3
InChIKeyLPOKMOAXSYZLKH-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-ditert-butyl-2,7-bis(4-tert-butylphenyl)-9H-fluorene
CID 87195698
3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;zirconium(3+);dibromide
CID 174488507
2,5-ditert-butyl-4-phenylphenol
CID 14592702
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331
1-tert-butyl-2,4-diphenylbenzene;methane
CID 142588815
1-tert-butyl-2,5-diphenyl-4-propan-2-ylbenzene
CID 144806043
3,6-ditert-butyl-2,7-bis[4-(trifluoromethyl)phenyl]-9H-fluorene;dichlorozirconium
CID 174719542
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
2,3-ditert-butyl-10H-anthracen-9-one
CID 58769690
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
cyclopenta-1,3-diene;3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide;dicyclohexylsilylidenehafnium(2+);dichloride
CID 158552937

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene?
The IUPAC name of 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene (CID 157418767) is 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene.
What is the SMILES notation for 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene?
The canonical SMILES for 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene is CC(C)(C)c1cc2c(cc1-c1ccccc1)Cc1cc(-c3ccccc3)cc(C(C)(C)C)c1-2.
What is the InChIKey of 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene?
The InChIKey is LPOKMOAXSYZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34/c1-32(2,3)29-21-28-25(19-27(29)23-15-11-8-12-16-23)18-26-17-24(22-13-9-7-10-14-22)20-30(31(26)28)33(4,5)6/h7-17,19-21H,18H2,1-6H3.
What are the key properties of 3,5-ditert-butyl-2,7-diphenyl-9H-fluorene?
3,5-ditert-butyl-2,7-diphenyl-9H-fluorene has a molecular weight of 430.64 g/mol, XLogP of 9.19, 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-diphenyl-9H-fluorene is sourced from PubChem (CID 157418767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).