2-bromo-9,9-bis(4-methoxyphenyl)fluorene

C27H21BrO2 — CID 22020083

IUPAC2-bromo-9,9-bis(4-methoxyphenyl)fluorene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C27H21BrO2/c1-29-21-12-7-18(8-13-21)27(19-9-14-22(30-2)15-10-19)25-6-4-3-5-23(25)24-16-11-20(28)17-26(24)27/h3-17H,1-2H3
InChIKeyCDORIHIERUSFHX-UHFFFAOYSA-N
MW457.37 g/mol
LogP6.83
Rot. Bonds4

About 2-bromo-9,9-bis(4-methoxyphenyl)fluorene

2-bromo-9,9-bis(4-methoxyphenyl)fluorene (PubChem CID 22020083) has the molecular formula C27H21BrO2 and a molecular weight of 457.37 g/mol. Its IUPAC name is 2-bromo-9,9-bis(4-methoxyphenyl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-bis(4-methoxyphenyl)fluorene
PubChem CID22020083
Molecular FormulaC27H21BrO2
Molecular Weight457.37 g/mol
Exact Mass456.07
IUPAC Name2-bromo-9,9-bis(4-methoxyphenyl)fluorene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C27H21BrO2/c1-29-21-12-7-18(8-13-21)27(19-9-14-22(30-2)15-10-19)25-6-4-3-5-23(25)24-16-11-20(28)17-26(24)27/h3-17H,1-2H3
InChIKeyCDORIHIERUSFHX-UHFFFAOYSA-N
XLogP6.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.37
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-bis(4-methoxyphenyl)fluorene?
The IUPAC name of 2-bromo-9,9-bis(4-methoxyphenyl)fluorene (CID 22020083) is 2-bromo-9,9-bis(4-methoxyphenyl)fluorene.
What is the SMILES notation for 2-bromo-9,9-bis(4-methoxyphenyl)fluorene?
The canonical SMILES for 2-bromo-9,9-bis(4-methoxyphenyl)fluorene is COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2-bromo-9,9-bis(4-methoxyphenyl)fluorene?
The InChIKey is CDORIHIERUSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrO2/c1-29-21-12-7-18(8-13-21)27(19-9-14-22(30-2)15-10-19)25-6-4-3-5-23(25)24-16-11-20(28)17-26(24)27/h3-17H,1-2H3.
What are the key properties of 2-bromo-9,9-bis(4-methoxyphenyl)fluorene?
2-bromo-9,9-bis(4-methoxyphenyl)fluorene has a molecular weight of 457.37 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-bis(4-methoxyphenyl)fluorene is sourced from PubChem (CID 22020083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).