2,7,9-tripentylfluoren-9-ol

C28H40O — CID 175293843

IUPAC2,7,9-tripentylfluoren-9-ol
SMILESCCCCCc1ccc2c(c1)C(O)(CCCCC)c1cc(CCCCC)ccc1-2
InChIInChI=1S/C28H40O/c1-4-7-10-13-22-15-17-24-25-18-16-23(14-11-8-5-2)21-27(25)28(29,26(24)20-22)19-12-9-6-3/h15-18,20-21,29H,4-14,19H2,1-3H3
InChIKeyAJYHYIVJXCTDDI-UHFFFAOYSA-N
MW392.63 g/mol
LogP7.95
Rot. Bonds12

About 2,7,9-tripentylfluoren-9-ol

2,7,9-tripentylfluoren-9-ol (PubChem CID 175293843) has the molecular formula C28H40O and a molecular weight of 392.63 g/mol. Its IUPAC name is 2,7,9-tripentylfluoren-9-ol.

Molecular Properties

Compound Name2,7,9-tripentylfluoren-9-ol
PubChem CID175293843
Molecular FormulaC28H40O
Molecular Weight392.63 g/mol
Exact Mass392.31
IUPAC Name2,7,9-tripentylfluoren-9-ol
SMILESCCCCCc1ccc2c(c1)C(O)(CCCCC)c1cc(CCCCC)ccc1-2
InChIInChI=1S/C28H40O/c1-4-7-10-13-22-15-17-24-25-18-16-23(14-11-8-5-2)21-27(25)28(29,26(24)20-22)19-12-9-6-3/h15-18,20-21,29H,4-14,19H2,1-3H3
InChIKeyAJYHYIVJXCTDDI-UHFFFAOYSA-N
XLogP7.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-7-hexyl-9,9-dimethylfluorene
CID 130398311
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
CID 58556168
2-[7-(carboxymethyl)-9,9-dihexylfluoren-2-yl]acetic acid
CID 170886641
2-[7-(cyanomethyl)-9,9-dipentylfluoren-2-yl]acetonitrile
CID 122384059
6-hexyl-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 23002530
2-[9,9-dihexyl-7-(4-hexylthiophen-2-yl)fluoren-2-yl]-4-hexylthiophene
CID 68700338
2,7-dibromo-9,10-dioctylphenanthrene-9,10-diol
CID 59479587
2-[(2-hydroxy-5-pentylphenyl)diazenyl]-4-pentylphenol
CID 177435074
(1S,8S)-3,6-dibromo-11-octylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaene-1,8-diol
CID 177392147
2-hexyl-9H-fluorene
CID 2801684
8,30-bis[7-(7-hexyl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624233
1-butyl-4-nonylbenzene
CID 59545302

Frequently Asked Questions

What is the IUPAC name of 2,7,9-tripentylfluoren-9-ol?
The IUPAC name of 2,7,9-tripentylfluoren-9-ol (CID 175293843) is 2,7,9-tripentylfluoren-9-ol.
What is the SMILES notation for 2,7,9-tripentylfluoren-9-ol?
The canonical SMILES for 2,7,9-tripentylfluoren-9-ol is CCCCCc1ccc2c(c1)C(O)(CCCCC)c1cc(CCCCC)ccc1-2.
What is the InChIKey of 2,7,9-tripentylfluoren-9-ol?
The InChIKey is AJYHYIVJXCTDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O/c1-4-7-10-13-22-15-17-24-25-18-16-23(14-11-8-5-2)21-27(25)28(29,26(24)20-22)19-12-9-6-3/h15-18,20-21,29H,4-14,19H2,1-3H3.
What are the key properties of 2,7,9-tripentylfluoren-9-ol?
2,7,9-tripentylfluoren-9-ol has a molecular weight of 392.63 g/mol, XLogP of 7.95, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-tripentylfluoren-9-ol is sourced from PubChem (CID 175293843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).