2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol

C33H32O2 — CID 90398124

IUPAC2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol
SMILESCC1(C)c2cc(CO)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(CCO)ccc3-4)cc21
InChIInChI=1S/C33H32O2/c1-32(2)28-15-20(13-14-34)5-9-24(28)26-11-7-22(17-30(26)32)23-8-12-27-25-10-6-21(19-35)16-29(25)33(3,4)31(27)18-23/h5-12,15-18,34-35H,13-14,19H2,1-4H3
InChIKeyULTVSDQYWQSTJL-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.99
Rot. Bonds4

About 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol

2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol (PubChem CID 90398124) has the molecular formula C33H32O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol.

Molecular Properties

Compound Name2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol
PubChem CID90398124
Molecular FormulaC33H32O2
Molecular Weight460.62 g/mol
Exact Mass460.24
IUPAC Name2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol
SMILESCC1(C)c2cc(CO)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(CCO)ccc3-4)cc21
InChIInChI=1S/C33H32O2/c1-32(2)28-15-20(13-14-34)5-9-24(28)26-11-7-22(17-30(26)32)23-8-12-27-25-10-6-21(19-35)16-29(25)33(3,4)31(27)18-23/h5-12,15-18,34-35H,13-14,19H2,1-4H3
InChIKeyULTVSDQYWQSTJL-UHFFFAOYSA-N
XLogP6.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[7-[7-[7-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-9,9-dimethylfluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethyl]-2,6-bis(hydroxymethyl)phenol
CID 129056201
2-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(2-hydroxyethyl)anilino]phenyl]anilino]phenyl]ethanol
CID 59863805
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[4-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]anilino]phenyl]phenyl]-N-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]aniline
CID 58876409
3-[7-[7-tert-butyl-3-[7-(3-hydroxypropyl)-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propan-1-ol
CID 90400395
2-[4-[3-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]propyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58876393
[7-[7-[7-(hydroxymethyl)-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]-9,9-bis[2-(2-methoxyethoxy)ethyl]fluoren-2-yl]methanol
CID 89030603
2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 123621511
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
4-[3-[7-[6,8-bis[7-[(4-hydroxyphenyl)methyl]-9,9-dimethylfluoren-2-yl]-3-[7-[3-(4-hydroxyphenyl)propyl]-9,9-dimethylfluoren-2-yl]pyren-1-yl]-9,9-dimethylfluoren-2-yl]propyl]phenol
CID 90398140

Frequently Asked Questions

What is the IUPAC name of 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol?
The IUPAC name of 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol (CID 90398124) is 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol.
What is the SMILES notation for 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol?
The canonical SMILES for 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol is CC1(C)c2cc(CO)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(CCO)ccc3-4)cc21.
What is the InChIKey of 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol?
The InChIKey is ULTVSDQYWQSTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O2/c1-32(2)28-15-20(13-14-34)5-9-24(28)26-11-7-22(17-30(26)32)23-8-12-27-25-10-6-21(19-35)16-29(25)33(3,4)31(27)18-23/h5-12,15-18,34-35H,13-14,19H2,1-4H3.
What are the key properties of 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol?
2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol has a molecular weight of 460.62 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[7-(hydroxymethyl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]ethanol is sourced from PubChem (CID 90398124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).