1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene

C32H23Br — CID 57338547

IUPAC1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)c1c(-c3ccc(Br)cc3)cc(-c3ccccc3)cc1-2
InChIInChI=1S/C32H23Br/c1-21-12-17-27-29(18-21)31(24-10-6-3-7-11-24)32-28(23-13-15-26(33)16-14-23)19-25(20-30(27)32)22-8-4-2-5-9-22/h2-20,31H,1H3
InChIKeyZWILMBAEUQZKOA-UHFFFAOYSA-N
MW487.44 g/mol
LogP9.25
Rot. Bonds3

About 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene

1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene (PubChem CID 57338547) has the molecular formula C32H23Br and a molecular weight of 487.44 g/mol. Its IUPAC name is 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene.

Molecular Properties

Compound Name1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
PubChem CID57338547
Molecular FormulaC32H23Br
Molecular Weight487.44 g/mol
Exact Mass486.10
IUPAC Name1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
SMILESCc1ccc2c(c1)C(c1ccccc1)c1c(-c3ccc(Br)cc3)cc(-c3ccccc3)cc1-2
InChIInChI=1S/C32H23Br/c1-21-12-17-27-29(18-21)31(24-10-6-3-7-11-24)32-28(23-13-15-26(33)16-14-23)19-25(20-30(27)32)22-8-4-2-5-9-22/h2-20,31H,1H3
InChIKeyZWILMBAEUQZKOA-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.44
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene?
The IUPAC name of 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene (CID 57338547) is 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene.
What is the SMILES notation for 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene?
The canonical SMILES for 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene is Cc1ccc2c(c1)C(c1ccccc1)c1c(-c3ccc(Br)cc3)cc(-c3ccccc3)cc1-2.
What is the InChIKey of 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene?
The InChIKey is ZWILMBAEUQZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Br/c1-21-12-17-27-29(18-21)31(24-10-6-3-7-11-24)32-28(23-13-15-26(33)16-14-23)19-25(20-30(27)32)22-8-4-2-5-9-22/h2-20,31H,1H3.
What are the key properties of 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene?
1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene has a molecular weight of 487.44 g/mol, XLogP of 9.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-7-methyl-3,9-diphenyl-9H-fluorene is sourced from PubChem (CID 57338547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).