6-tert-butyl-4-methyl-2,4-diphenylchromene

C26H26O — CID 45112727

IUPAC6-tert-butyl-4-methyl-2,4-diphenylchromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(c1ccccc1)C=C(c1ccccc1)O2
InChIInChI=1S/C26H26O/c1-25(2,3)21-15-16-23-22(17-21)26(4,20-13-9-6-10-14-20)18-24(27-23)19-11-7-5-8-12-19/h5-18H,1-4H3
InChIKeyMQBZYIDORKXXGU-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.72
Rot. Bonds2

About 6-tert-butyl-4-methyl-2,4-diphenylchromene

6-tert-butyl-4-methyl-2,4-diphenylchromene (PubChem CID 45112727) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-2,4-diphenylchromene.

Molecular Properties

Compound Name6-tert-butyl-4-methyl-2,4-diphenylchromene
PubChem CID45112727
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name6-tert-butyl-4-methyl-2,4-diphenylchromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(c1ccccc1)C=C(c1ccccc1)O2
InChIInChI=1S/C26H26O/c1-25(2,3)21-15-16-23-22(17-21)26(4,20-13-9-6-10-14-20)18-24(27-23)19-11-7-5-8-12-19/h5-18H,1-4H3
InChIKeyMQBZYIDORKXXGU-UHFFFAOYSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-2-phenylbenzo[g]chromene
CID 101100623
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
N-[(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)methyl]-N-(9,9-diphenylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 174284982
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
2,7-ditert-butyl-N-(9,9-diphenylxanthen-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282393
3-tert-butyl-5,5-difluoro-6H-benzo[b][1]benzoxepine
CID 134215020
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2-(9,9-dimethyl-7-phenylxanthen-2-yl)-9,9-dimethyl-7-phenylxanthene
CID 70935966
(1R)-1,3-bis(4-chlorophenyl)-1-methylbenzo[f]chromene
CID 139079231
1-[2,7-ditert-butyl-9-(3-phenyl-2H-imidazol-1-yl)xanthen-9-yl]-3-phenyl-2H-imidazole
CID 140824269

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-2,4-diphenylchromene?
The IUPAC name of 6-tert-butyl-4-methyl-2,4-diphenylchromene (CID 45112727) is 6-tert-butyl-4-methyl-2,4-diphenylchromene.
What is the SMILES notation for 6-tert-butyl-4-methyl-2,4-diphenylchromene?
The canonical SMILES for 6-tert-butyl-4-methyl-2,4-diphenylchromene is CC(C)(C)c1ccc2c(c1)C(C)(c1ccccc1)C=C(c1ccccc1)O2.
What is the InChIKey of 6-tert-butyl-4-methyl-2,4-diphenylchromene?
The InChIKey is MQBZYIDORKXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-25(2,3)21-15-16-23-22(17-21)26(4,20-13-9-6-10-14-20)18-24(27-23)19-11-7-5-8-12-19/h5-18H,1-4H3.
What are the key properties of 6-tert-butyl-4-methyl-2,4-diphenylchromene?
6-tert-butyl-4-methyl-2,4-diphenylchromene has a molecular weight of 354.49 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methyl-2,4-diphenylchromene is sourced from PubChem (CID 45112727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).