2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol

C37H37BrO — CID 167287376

IUPAC2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol
SMILESOC1(c2cc(C3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H37BrO/c38-30-20-22-33-32-13-7-8-14-34(32)37(39,36(33)24-30)35-23-29(26-11-5-2-6-12-26)19-21-31(35)28-17-15-27(16-18-28)25-9-3-1-4-10-25/h7-8,13-26,39H,1-6,9-12H2
InChIKeyFMDHVHJRTOTJBP-UHFFFAOYSA-N
MW577.61 g/mol
LogP10.48
Rot. Bonds4

About 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol

2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol (PubChem CID 167287376) has the molecular formula C37H37BrO and a molecular weight of 577.61 g/mol. Its IUPAC name is 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol.

Molecular Properties

Compound Name2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol
PubChem CID167287376
Molecular FormulaC37H37BrO
Molecular Weight577.61 g/mol
Exact Mass576.20
IUPAC Name2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol
SMILESOC1(c2cc(C3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc2)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C37H37BrO/c38-30-20-22-33-32-13-7-8-14-34(32)37(39,36(33)24-30)35-23-29(26-11-5-2-6-12-26)19-21-31(35)28-17-15-27(16-18-28)25-9-3-1-4-10-25/h7-8,13-26,39H,1-6,9-12H2
InChIKeyFMDHVHJRTOTJBP-UHFFFAOYSA-N
XLogP10.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.61
LogP ≤ 510.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol?
The IUPAC name of 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol (CID 167287376) is 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol.
What is the SMILES notation for 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol?
The canonical SMILES for 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol is OC1(c2cc(C3CCCCC3)ccc2-c2ccc(C3CCCCC3)cc2)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol?
The InChIKey is FMDHVHJRTOTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37BrO/c38-30-20-22-33-32-13-7-8-14-34(32)37(39,36(33)24-30)35-23-29(26-11-5-2-6-12-26)19-21-31(35)28-17-15-27(16-18-28)25-9-3-1-4-10-25/h7-8,13-26,39H,1-6,9-12H2.
What are the key properties of 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol?
2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol has a molecular weight of 577.61 g/mol, XLogP of 10.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[5-cyclohexyl-2-(4-cyclohexylphenyl)phenyl]fluoren-9-ol is sourced from PubChem (CID 167287376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).