2-(4-bromophenyl)-1,4-diphenylnaphthalene

C28H19Br — CID 141481933

IUPAC2-(4-bromophenyl)-1,4-diphenylnaphthalene
SMILESBrc1ccc(-c2cc(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C28H19Br/c29-23-17-15-21(16-18-23)27-19-26(20-9-3-1-4-10-20)24-13-7-8-14-25(24)28(27)22-11-5-2-6-12-22/h1-19H
InChIKeyWDIKUTMOMOLMTP-UHFFFAOYSA-N
MW435.36 g/mol
LogP8.60
Rot. Bonds3

About 2-(4-bromophenyl)-1,4-diphenylnaphthalene

2-(4-bromophenyl)-1,4-diphenylnaphthalene (PubChem CID 141481933) has the molecular formula C28H19Br and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,4-diphenylnaphthalene.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,4-diphenylnaphthalene
PubChem CID141481933
Molecular FormulaC28H19Br
Molecular Weight435.36 g/mol
Exact Mass434.07
IUPAC Name2-(4-bromophenyl)-1,4-diphenylnaphthalene
SMILESBrc1ccc(-c2cc(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C28H19Br/c29-23-17-15-21(16-18-23)27-19-26(20-9-3-1-4-10-20)24-13-7-8-14-25(24)28(27)22-11-5-2-6-12-22/h1-19H
InChIKeyWDIKUTMOMOLMTP-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-bromo-9,10-diphenylanthracene
CID 22247163
4-(4-bromophenyl)-6-methyl-2,3-diphenylpyridine
CID 134944928
2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
7-bromo-4-methyl-1,2-diphenylnaphthalene
CID 166066890
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
4-bromo-1-(4-bromophenyl)-2-ethynyl-3,5-diphenylbenzene
CID 175914549
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171730885
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2-tert-butyl-1,4-diphenylnaphthalene
CID 10759331

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,4-diphenylnaphthalene?
The IUPAC name of 2-(4-bromophenyl)-1,4-diphenylnaphthalene (CID 141481933) is 2-(4-bromophenyl)-1,4-diphenylnaphthalene.
What is the SMILES notation for 2-(4-bromophenyl)-1,4-diphenylnaphthalene?
The canonical SMILES for 2-(4-bromophenyl)-1,4-diphenylnaphthalene is Brc1ccc(-c2cc(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,4-diphenylnaphthalene?
The InChIKey is WDIKUTMOMOLMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Br/c29-23-17-15-21(16-18-23)27-19-26(20-9-3-1-4-10-20)24-13-7-8-14-25(24)28(27)22-11-5-2-6-12-22/h1-19H.
What are the key properties of 2-(4-bromophenyl)-1,4-diphenylnaphthalene?
2-(4-bromophenyl)-1,4-diphenylnaphthalene has a molecular weight of 435.36 g/mol, XLogP of 8.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,4-diphenylnaphthalene is sourced from PubChem (CID 141481933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).