2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol

C31H30O — CID 151547134

IUPAC2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol
SMILESCC(C)c1cc(O)c(-c2cccc3c2Cc2ccccc2-3)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C31H30O/c1-19(2)26-18-28(32)31(30(29(26)20(3)4)21-11-6-5-7-12-21)25-16-10-15-24-23-14-9-8-13-22(23)17-27(24)25/h5-16,18-20,32H,17H2,1-4H3
InChIKeyPZRUGQSUAOHMAV-UHFFFAOYSA-N
MW418.58 g/mol
LogP8.54
Rot. Bonds4

About 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol

2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol (PubChem CID 151547134) has the molecular formula C31H30O and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol
PubChem CID151547134
Molecular FormulaC31H30O
Molecular Weight418.58 g/mol
Exact Mass418.23
IUPAC Name2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol
SMILESCC(C)c1cc(O)c(-c2cccc3c2Cc2ccccc2-3)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C31H30O/c1-19(2)26-18-28(32)31(30(29(26)20(3)4)21-11-6-5-7-12-21)25-16-10-15-24-23-14-9-8-13-22(23)17-27(24)25/h5-16,18-20,32H,17H2,1-4H3
InChIKeyPZRUGQSUAOHMAV-UHFFFAOYSA-N
XLogP8.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
3-phenyl-4,5-di(propan-2-yl)benzene-1,2-diol
CID 88710522
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
2-(9H-fluoren-1-yl)-4-phenylbenzene-1,3-diol
CID 151135384
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluoren-1-ol;prop-1-ene
CID 159607408
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
1-(4-ethoxy-3-propan-2-ylphenyl)-9H-fluorene
CID 175394997
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
2-phenyl-3-propan-2-ylphenol
CID 54177325
N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
CID 87557447

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol?
The IUPAC name of 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol (CID 151547134) is 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol.
What is the SMILES notation for 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol?
The canonical SMILES for 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol is CC(C)c1cc(O)c(-c2cccc3c2Cc2ccccc2-3)c(-c2ccccc2)c1C(C)C.
What is the InChIKey of 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol?
The InChIKey is PZRUGQSUAOHMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O/c1-19(2)26-18-28(32)31(30(29(26)20(3)4)21-11-6-5-7-12-21)25-16-10-15-24-23-14-9-8-13-22(23)17-27(24)25/h5-16,18-20,32H,17H2,1-4H3.
What are the key properties of 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol?
2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol has a molecular weight of 418.58 g/mol, XLogP of 8.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-1-yl)-3-phenyl-4,5-di(propan-2-yl)phenol is sourced from PubChem (CID 151547134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).