1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol

C31H37BrO — CID 174692034

IUPAC1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol
SMILESCCCCCCc1cc(CCCCCC)cc(C2(O)c3ccccc3-c3cccc(Br)c32)c1
InChIInChI=1S/C31H37BrO/c1-3-5-7-9-14-23-20-24(15-10-8-6-4-2)22-25(21-23)31(33)28-18-12-11-16-26(28)27-17-13-19-29(32)30(27)31/h11-13,16-22,33H,3-10,14-15H2,1-2H3
InChIKeyYGRWLBJMUGHFRI-UHFFFAOYSA-N
MW505.54 g/mol
LogP8.96
Rot. Bonds11

About 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol

1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol (PubChem CID 174692034) has the molecular formula C31H37BrO and a molecular weight of 505.54 g/mol. Its IUPAC name is 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol.

Molecular Properties

Compound Name1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol
PubChem CID174692034
Molecular FormulaC31H37BrO
Molecular Weight505.54 g/mol
Exact Mass504.20
IUPAC Name1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol
SMILESCCCCCCc1cc(CCCCCC)cc(C2(O)c3ccccc3-c3cccc(Br)c32)c1
InChIInChI=1S/C31H37BrO/c1-3-5-7-9-14-23-20-24(15-10-8-6-4-2)22-25(21-23)31(33)28-18-12-11-16-26(28)27-17-13-19-29(32)30(27)31/h11-13,16-22,33H,3-10,14-15H2,1-2H3
InChIKeyYGRWLBJMUGHFRI-UHFFFAOYSA-N
XLogP8.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.54
LogP ≤ 58.96
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

(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
2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
CID 134368344
1-bromo-9,9-bis(1-bromohexyl)fluorene
CID 141422780
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
CID 58556168
1-bromo-3,5-dihexylbenzene;2,7-dibromo-3,6-diethylfluoren-9-one;2,7-dibromo-9-(3,5-dihexylphenyl)-3,6-diethylfluoren-9-ol
CID 158018153
5-bromo-2-[9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]pyridine
CID 122679741
(2E,3R)-3-hydroxy-2-[(1R)-1-hydroxy-1-[4-(4-octylphenyl)phenyl]-3-oxoinden-2-ylidene]-3-[4-(4-octylphenyl)phenyl]inden-1-one
CID 102083462
(2E,3R)-3-[4-(4-hexylphenyl)phenyl]-2-[(1S)-1-[4-(4-hexylphenyl)phenyl]-1-hydroxy-3-oxoinden-2-ylidene]-3-hydroxyinden-1-one
CID 139175762
1,3-di(tetradecyl)benzene
CID 91053224
2,7-dibromo-9-(3,5-dihexylphenyl)-3,6,9-trimethylfluorene
CID 90191586
5,5,10,10-tetrakis(4-octylphenyl)indeno[2,1-a]indene
CID 102346967
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol?
The IUPAC name of 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol (CID 174692034) is 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol.
What is the SMILES notation for 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol?
The canonical SMILES for 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol is CCCCCCc1cc(CCCCCC)cc(C2(O)c3ccccc3-c3cccc(Br)c32)c1.
What is the InChIKey of 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol?
The InChIKey is YGRWLBJMUGHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37BrO/c1-3-5-7-9-14-23-20-24(15-10-8-6-4-2)22-25(21-23)31(33)28-18-12-11-16-26(28)27-17-13-19-29(32)30(27)31/h11-13,16-22,33H,3-10,14-15H2,1-2H3.
What are the key properties of 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol?
1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol has a molecular weight of 505.54 g/mol, XLogP of 8.96, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9-(3,5-dihexylphenyl)fluoren-9-ol is sourced from PubChem (CID 174692034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).