[1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone

C47H40O2 — CID 90948278

IUPAC[1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc3c(c2C(=O)c2ccc(C(C)(C)C)cc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C47H40O2/c1-45(2,3)31-23-19-29(20-24-31)43(48)37-28-27-36-35-15-9-12-18-40(35)47(38-16-10-7-13-33(38)34-14-8-11-17-39(34)47)42(36)41(37)44(49)30-21-25-32(26-22-30)46(4,5)6/h7-28H,1-6H3
InChIKeyINEBQGXUGKGUFC-UHFFFAOYSA-N
MW636.84 g/mol
LogP11.09
Rot. Bonds4

About [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone

[1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone (PubChem CID 90948278) has the molecular formula C47H40O2 and a molecular weight of 636.84 g/mol. Its IUPAC name is [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone.

Molecular Properties

Compound Name[1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone
PubChem CID90948278
Molecular FormulaC47H40O2
Molecular Weight636.84 g/mol
Exact Mass636.30
IUPAC Name[1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc3c(c2C(=O)c2ccc(C(C)(C)C)cc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C47H40O2/c1-45(2,3)31-23-19-29(20-24-31)43(48)37-28-27-36-35-15-9-12-18-40(35)47(38-16-10-7-13-33(38)34-14-8-11-17-39(34)47)42(36)41(37)44(49)30-21-25-32(26-22-30)46(4,5)6/h7-28H,1-6H3
InChIKeyINEBQGXUGKGUFC-UHFFFAOYSA-N
XLogP11.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.84
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
CID 145044888
4-tert-butyl-N-[4-[9-[4-[(4-tert-butylbenzoyl)amino]phenyl]fluoren-9-yl]phenyl]benzamide
CID 3404404
[9-(4-tert-butylbenzoyl)perylen-3-yl]-(4-tert-butylphenyl)methanone
CID 59978036
9,9-bis(4-methylphenyl)fluorene;1,3-ditert-butylbenzene;9,9-dimethylfluorene;[4-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 159463242
CID 59217319
CID 59217319
(4-tert-butylphenyl)-(1,2-dihydroacenaphthylen-5-yl)methanone
CID 91678703
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
[2-(4-tert-butylbenzoyl)phenyl] acetate
CID 24722885
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
N-(9,9'-spirobi[fluorene]-1-yl)acetamide
CID 175536540

Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone?
The IUPAC name of [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone (CID 90948278) is [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone.
What is the SMILES notation for [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone?
The canonical SMILES for [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)c2ccc3c(c2C(=O)c2ccc(C(C)(C)C)cc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone?
The InChIKey is INEBQGXUGKGUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40O2/c1-45(2,3)31-23-19-29(20-24-31)43(48)37-28-27-36-35-15-9-12-18-40(35)47(38-16-10-7-13-33(38)34-14-8-11-17-39(34)47)42(36)41(37)44(49)30-21-25-32(26-22-30)46(4,5)6/h7-28H,1-6H3.
What are the key properties of [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone?
[1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone has a molecular weight of 636.84 g/mol, XLogP of 11.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butylbenzoyl)-9,9'-spirobi[fluorene]-2-yl]-(4-tert-butylphenyl)methanone is sourced from PubChem (CID 90948278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).