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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Related Compounds

1-(4-chlorophenyl)-7-methyl-3,9-diphenyl-9H-fluorene
CID 57338546
7-fluoro-1,3,9-triphenyl-9H-fluorene
CID 57338507
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-9H-fluoren-3-yl]phenyl]aniline
CID 145060230
N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
CID 129256095
2,7-dibromo-9-(3-methylphenyl)-9H-fluorene
CID 157125078
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2,6-bis[9-(4-bromophenyl)-9H-fluoren-1-yl]pyridine;toluene
CID 158476067
1-bromo-4-(4-methylphenyl)-2-phenylbenzene
CID 70958469
2-(4-bromophenyl)-4-(4-methylphenyl)-6-phenylpyridine
CID 141475608
1-(4-bromophenyl)-2,4-dimethylbenzene
CID 83659015
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-2-phenylphenyl]phenyl]-9H-fluorene
CID 58556035
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427

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).