ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol

C31H34O2 — CID 91334684

IUPACethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol
SMILESCC.CC.CC1(C)c2ccc(-c3ccc(O)cc3)cc2-c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C27H22O2.2C2H6/c1-27(2)25-13-7-19(17-3-9-21(28)10-4-17)15-23(25)24-16-20(8-14-26(24)27)18-5-11-22(29)12-6-18;2*1-2/h3-16,28-29H,1-2H3;2*1-2H3
InChIKeyNOQXDYIYDWVNIG-UHFFFAOYSA-N
MW438.61 g/mol
LogP8.79
Rot. Bonds2

About ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol

ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol (PubChem CID 91334684) has the molecular formula C31H34O2 and a molecular weight of 438.61 g/mol. Its IUPAC name is ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol.

Molecular Properties

Compound Nameethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol
PubChem CID91334684
Molecular FormulaC31H34O2
Molecular Weight438.61 g/mol
Exact Mass438.26
IUPAC Nameethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol
SMILESCC.CC.CC1(C)c2ccc(-c3ccc(O)cc3)cc2-c2cc(-c3ccc(O)cc3)ccc21
InChIInChI=1S/C27H22O2.2C2H6/c1-27(2)25-13-7-19(17-3-9-21(28)10-4-17)15-23(25)24-16-20(8-14-26(24)27)18-5-11-22(29)12-6-18;2*1-2/h3-16,28-29H,1-2H3;2*1-2H3
InChIKeyNOQXDYIYDWVNIG-UHFFFAOYSA-N
XLogP8.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 58.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
3,6-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene
CID 171740128
4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 141279487
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
2-(6,9,9-trimethylfluoren-3-yl)phenol
CID 59317538
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
CID 154533323
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
6-(3,5-diphenylphenyl)-9,9-dimethyl-2,4-diphenylfluorene
CID 170533742
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
N-[4-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122493690

Frequently Asked Questions

What is the IUPAC name of ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol?
The IUPAC name of ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol (CID 91334684) is ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol.
What is the SMILES notation for ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol?
The canonical SMILES for ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol is CC.CC.CC1(C)c2ccc(-c3ccc(O)cc3)cc2-c2cc(-c3ccc(O)cc3)ccc21.
What is the InChIKey of ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol?
The InChIKey is NOQXDYIYDWVNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2.2C2H6/c1-27(2)25-13-7-19(17-3-9-21(28)10-4-17)15-23(25)24-16-20(8-14-26(24)27)18-5-11-22(29)12-6-18;2*1-2/h3-16,28-29H,1-2H3;2*1-2H3.
What are the key properties of ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol?
ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol has a molecular weight of 438.61 g/mol, XLogP of 8.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[6-(4-hydroxyphenyl)-9,9-dimethylfluoren-3-yl]phenol is sourced from PubChem (CID 91334684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).