4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol

C32H24O — CID 139370656

IUPAC4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc3c2Cc2ccc(-c4ccccc4)cc2-3)ccc1O
InChIInChI=1S/C32H24O/c1-21-16-25(14-15-32(21)33)29-19-27(23-10-6-3-7-11-23)20-31-28-17-24(22-8-4-2-5-9-22)12-13-26(28)18-30(29)31/h2-17,19-20,33H,18H2,1H3
InChIKeyBDWRRNJNYULOGQ-UHFFFAOYSA-N
MW424.54 g/mol
LogP8.27
Rot. Bonds3

About 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol

4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol (PubChem CID 139370656) has the molecular formula C32H24O and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol.

Molecular Properties

Compound Name4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol
PubChem CID139370656
Molecular FormulaC32H24O
Molecular Weight424.54 g/mol
Exact Mass424.18
IUPAC Name4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol
SMILESCc1cc(-c2cc(-c3ccccc3)cc3c2Cc2ccc(-c4ccccc4)cc2-3)ccc1O
InChIInChI=1S/C32H24O/c1-21-16-25(14-15-32(21)33)29-19-27(23-10-6-3-7-11-23)20-31-28-17-24(22-8-4-2-5-9-22)12-13-26(28)18-30(29)31/h2-17,19-20,33H,18H2,1H3
InChIKeyBDWRRNJNYULOGQ-UHFFFAOYSA-N
XLogP8.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
4-(4-hydroxy-3-phenylphenyl)-2-methylphenol
CID 139534984
1-methyl-6-phenyl-9H-fluorene
CID 157259892
2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159816349
3-(3,6-diphenyl-9H-fluoren-1-yl)propanoic acid
CID 155213141
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine
CID 159788498
1,3,6,8-tetraphenyl-9H-fluorene
CID 150022420
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol?
The IUPAC name of 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol (CID 139370656) is 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol.
What is the SMILES notation for 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol?
The canonical SMILES for 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol is Cc1cc(-c2cc(-c3ccccc3)cc3c2Cc2ccc(-c4ccccc4)cc2-3)ccc1O.
What is the InChIKey of 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol?
The InChIKey is BDWRRNJNYULOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O/c1-21-16-25(14-15-32(21)33)29-19-27(23-10-6-3-7-11-23)20-31-28-17-24(22-8-4-2-5-9-22)12-13-26(28)18-30(29)31/h2-17,19-20,33H,18H2,1H3.
What are the key properties of 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol?
4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol has a molecular weight of 424.54 g/mol, XLogP of 8.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diphenyl-9H-fluoren-1-yl)-2-methylphenol is sourced from PubChem (CID 139370656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).