1-(4-bromophenyl)-9,9-diphenylfluorene

C31H21Br — CID 172845574

IUPAC1-(4-bromophenyl)-9,9-diphenylfluorene
SMILESBrc1ccc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C31H21Br/c32-25-20-18-22(19-21-25)26-15-9-16-28-27-14-7-8-17-29(27)31(30(26)28,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-21H
InChIKeyXJHQOGAECDSLSI-UHFFFAOYSA-N
MW473.41 g/mol
LogP8.48
Rot. Bonds3

About 1-(4-bromophenyl)-9,9-diphenylfluorene

1-(4-bromophenyl)-9,9-diphenylfluorene (PubChem CID 172845574) has the molecular formula C31H21Br and a molecular weight of 473.41 g/mol. Its IUPAC name is 1-(4-bromophenyl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name1-(4-bromophenyl)-9,9-diphenylfluorene
PubChem CID172845574
Molecular FormulaC31H21Br
Molecular Weight473.41 g/mol
Exact Mass472.08
IUPAC Name1-(4-bromophenyl)-9,9-diphenylfluorene
SMILESBrc1ccc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C31H21Br/c32-25-20-18-22(19-21-25)26-15-9-16-28-27-14-7-8-17-29(27)31(30(26)28,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-21H
InChIKeyXJHQOGAECDSLSI-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684
2-[3-(4-bromophenyl)phenyl]-9-[3-(9,9-diphenylfluoren-1-yl)phenyl]carbazole
CID 90216135
9,9,18,18,27,27-hexakis-phenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 59217347
1-(2-bromophenyl)-9,9-diphenylfluorene;4-(2-bromophenyl)-9,9-diphenylfluorene
CID 161028851
2-(9,9-diphenylfluoren-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 122416348
1-fluoro-9,9-diphenylfluorene
CID 170080544
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216145

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-9,9-diphenylfluorene?
The IUPAC name of 1-(4-bromophenyl)-9,9-diphenylfluorene (CID 172845574) is 1-(4-bromophenyl)-9,9-diphenylfluorene.
What is the SMILES notation for 1-(4-bromophenyl)-9,9-diphenylfluorene?
The canonical SMILES for 1-(4-bromophenyl)-9,9-diphenylfluorene is Brc1ccc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 1-(4-bromophenyl)-9,9-diphenylfluorene?
The InChIKey is XJHQOGAECDSLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Br/c32-25-20-18-22(19-21-25)26-15-9-16-28-27-14-7-8-17-29(27)31(30(26)28,23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-21H.
What are the key properties of 1-(4-bromophenyl)-9,9-diphenylfluorene?
1-(4-bromophenyl)-9,9-diphenylfluorene has a molecular weight of 473.41 g/mol, XLogP of 8.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-9,9-diphenylfluorene is sourced from PubChem (CID 172845574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).