2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione

C36H24Br2O2 — CID 102318712

IUPAC2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione
SMILESO=C(c1ccc2ccccc2c1)C(c1ccc(Br)cc1)C(C(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C36H24Br2O2/c37-31-17-13-25(14-18-31)33(35(39)29-11-9-23-5-1-3-7-27(23)21-29)34(26-15-19-32(38)20-16-26)36(40)30-12-10-24-6-2-4-8-28(24)22-30/h1-22,33-34H
InChIKeyFPUZWSHIQMBDPW-UHFFFAOYSA-N
MW648.39 g/mol
LogP10.15
Rot. Bonds7

About 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione

2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione (PubChem CID 102318712) has the molecular formula C36H24Br2O2 and a molecular weight of 648.39 g/mol. Its IUPAC name is 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione
PubChem CID102318712
Molecular FormulaC36H24Br2O2
Molecular Weight648.39 g/mol
Exact Mass646.01
IUPAC Name2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione
SMILESO=C(c1ccc2ccccc2c1)C(c1ccc(Br)cc1)C(C(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C36H24Br2O2/c37-31-17-13-25(14-18-31)33(35(39)29-11-9-23-5-1-3-7-27(23)21-29)34(26-15-19-32(38)20-16-26)36(40)30-12-10-24-6-2-4-8-28(24)22-30/h1-22,33-34H
InChIKeyFPUZWSHIQMBDPW-UHFFFAOYSA-N
XLogP10.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.39
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(4-bromophenyl)-2,3-diphenylbutane-1,4-dione
CID 134852094
2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
2,2-bis(4-methylphenyl)-1-naphthalen-2-ylethanone
CID 56956568
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(5-bromo-2-chlorophenyl)-naphthalen-2-ylmethanone
CID 114970356
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
1-(6-bromonaphthalen-2-yl)-2-methylpropan-1-one
CID 114962080
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
CID 22282349
methyl 3-(4-bromophenyl)-3-(naphthalene-2-carbonylamino)propanoate
CID 134015803
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione?
The IUPAC name of 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione (CID 102318712) is 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione.
What is the SMILES notation for 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione?
The canonical SMILES for 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione is O=C(c1ccc2ccccc2c1)C(c1ccc(Br)cc1)C(C(=O)c1ccc2ccccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione?
The InChIKey is FPUZWSHIQMBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Br2O2/c37-31-17-13-25(14-18-31)33(35(39)29-11-9-23-5-1-3-7-27(23)21-29)34(26-15-19-32(38)20-16-26)36(40)30-12-10-24-6-2-4-8-28(24)22-30/h1-22,33-34H.
What are the key properties of 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione?
2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione has a molecular weight of 648.39 g/mol, XLogP of 10.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione is sourced from PubChem (CID 102318712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).