8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one

C23H18O — CID 101126011

IUPAC8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one
SMILESC#Cc1c2c(cc3ccc(C(C)(C)C)cc13)-c1ccccc1C2=O
InChIInChI=1S/C23H18O/c1-5-16-19-13-15(23(2,3)4)11-10-14(19)12-20-17-8-6-7-9-18(17)22(24)21(16)20/h1,6-13H,2-4H3
InChIKeyGUZBVXALBXWCFV-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.33
Rot. Bonds

About 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one

8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one (PubChem CID 101126011) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one.

Molecular Properties

Compound Name8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one
PubChem CID101126011
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one
SMILESC#Cc1c2c(cc3ccc(C(C)(C)C)cc13)-c1ccccc1C2=O
InChIInChI=1S/C23H18O/c1-5-16-19-13-15(23(2,3)4)11-10-14(19)12-20-17-8-6-7-9-18(17)22(24)21(16)20/h1,6-13H,2-4H3
InChIKeyGUZBVXALBXWCFV-UHFFFAOYSA-N
XLogP5.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione
CID 135067467
7-methylbenzo[a]anthracene-5,6-dione
CID 176653825
2,10-ditert-butyltetraphenylene
CID 159208403
10-triethylsilylbenzo[b]fluoren-11-one
CID 11256447
benzo[a]tetracene-8,13-dione
CID 628034
CID 102150681
CID 102150681
3,6-ditert-butylphenanthrene-1,2-dione
CID 141171642
1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene
CID 102219651
1,7-ditert-butylnaphthalene
CID 59350345
9-bromo-2-tert-butylanthracene
CID 23148611
6-methylbenzo[a]anthracene-7,12-dione
CID 12934886
2,7-ditert-butyl-9-(2,7-ditert-butylphenanthren-9-yl)phenanthrene
CID 123877985

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one?
The IUPAC name of 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one (CID 101126011) is 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one.
What is the SMILES notation for 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one?
The canonical SMILES for 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one is C#Cc1c2c(cc3ccc(C(C)(C)C)cc13)-c1ccccc1C2=O.
What is the InChIKey of 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one?
The InChIKey is GUZBVXALBXWCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-5-16-19-13-15(23(2,3)4)11-10-14(19)12-20-17-8-6-7-9-18(17)22(24)21(16)20/h1,6-13H,2-4H3.
What are the key properties of 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one?
8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one has a molecular weight of 310.40 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-10-ethynylbenzo[b]fluoren-11-one is sourced from PubChem (CID 101126011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).