6-tert-butyl-3,4-diphenylnaphthalen-1-ol

C26H24O — CID 138969967

IUPAC6-tert-butyl-3,4-diphenylnaphthalen-1-ol
SMILESCC(C)(C)c1ccc2c(O)cc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H24O/c1-26(2,3)20-14-15-21-23(16-20)25(19-12-8-5-9-13-19)22(17-24(21)27)18-10-6-4-7-11-18/h4-17,27H,1-3H3
InChIKeyWFCUEOGSNKWTHO-UHFFFAOYSA-N
MW352.48 g/mol
LogP7.18
Rot. Bonds2

About 6-tert-butyl-3,4-diphenylnaphthalen-1-ol

6-tert-butyl-3,4-diphenylnaphthalen-1-ol (PubChem CID 138969967) has the molecular formula C26H24O and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-tert-butyl-3,4-diphenylnaphthalen-1-ol.

Molecular Properties

Compound Name6-tert-butyl-3,4-diphenylnaphthalen-1-ol
PubChem CID138969967
Molecular FormulaC26H24O
Molecular Weight352.48 g/mol
Exact Mass352.18
IUPAC Name6-tert-butyl-3,4-diphenylnaphthalen-1-ol
SMILESCC(C)(C)c1ccc2c(O)cc(-c3ccccc3)c(-c3ccccc3)c2c1
InChIInChI=1S/C26H24O/c1-26(2,3)20-14-15-21-23(16-20)25(19-12-8-5-9-13-19)22(17-24(21)27)18-10-6-4-7-11-18/h4-17,27H,1-3H3
InChIKeyWFCUEOGSNKWTHO-UHFFFAOYSA-N
XLogP7.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-3,4-diphenylnaphthalen-1-ol 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

2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
3,9-ditert-butyl-1,6-bis(4-tert-butylphenyl)-5,11-diphenyltetracene
CID 158976148
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2-(4-tert-butylphenyl)-4-phenylbenzene-1,3-diol
CID 22620601
2-tert-butyl-8-(8-tert-butyl-6,12-diphenylchrysen-2-yl)-6,12-diphenylchrysene
CID 58501303
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2,6-ditert-butyl-9-(4-naphthalen-2-ylphenyl)-10-(2-phenylphenyl)anthracene
CID 58830813
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
1-(3-tert-butyl-10-phenylanthracen-9-yl)pyrene
CID 140869475

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4-diphenylnaphthalen-1-ol?
The IUPAC name of 6-tert-butyl-3,4-diphenylnaphthalen-1-ol (CID 138969967) is 6-tert-butyl-3,4-diphenylnaphthalen-1-ol.
What is the SMILES notation for 6-tert-butyl-3,4-diphenylnaphthalen-1-ol?
The canonical SMILES for 6-tert-butyl-3,4-diphenylnaphthalen-1-ol is CC(C)(C)c1ccc2c(O)cc(-c3ccccc3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-tert-butyl-3,4-diphenylnaphthalen-1-ol?
The InChIKey is WFCUEOGSNKWTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O/c1-26(2,3)20-14-15-21-23(16-20)25(19-12-8-5-9-13-19)22(17-24(21)27)18-10-6-4-7-11-18/h4-17,27H,1-3H3.
What are the key properties of 6-tert-butyl-3,4-diphenylnaphthalen-1-ol?
6-tert-butyl-3,4-diphenylnaphthalen-1-ol has a molecular weight of 352.48 g/mol, XLogP of 7.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,4-diphenylnaphthalen-1-ol is sourced from PubChem (CID 138969967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).