2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene

C48H26Br4O2 — CID 162006378

IUPAC2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene
SMILESBrc1ccc2c(-c3ccc4ccccc4c3)c3cc(Br)ccc3c(-c3ccc4ccccc4c3)c2c1.O=C1c2ccc(Br)cc2C(=O)c2ccc(Br)cc21
InChIInChI=1S/C34H20Br2.C14H6Br2O2/c35-27-14-16-30-31(19-27)33(25-11-9-21-5-1-3-7-23(21)17-25)29-15-13-28(36)20-32(29)34(30)26-12-10-22-6-2-4-8-24(22)18-26;15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-20H;1-6H
InChIKeyYSWUYGDZTYAGRU-UHFFFAOYSA-N
MW954.35 g/mol
LogP15.15
Rot. Bonds2

About 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene

2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene (PubChem CID 162006378) has the molecular formula C48H26Br4O2 and a molecular weight of 954.35 g/mol. Its IUPAC name is 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene
PubChem CID162006378
Molecular FormulaC48H26Br4O2
Molecular Weight954.35 g/mol
Exact Mass949.87
IUPAC Name2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene
SMILESBrc1ccc2c(-c3ccc4ccccc4c3)c3cc(Br)ccc3c(-c3ccc4ccccc4c3)c2c1.O=C1c2ccc(Br)cc2C(=O)c2ccc(Br)cc21
InChIInChI=1S/C34H20Br2.C14H6Br2O2/c35-27-14-16-30-31(19-27)33(25-11-9-21-5-1-3-7-23(21)17-25)29-15-13-28(36)20-32(29)34(30)26-12-10-22-6-2-4-8-24(22)18-26;15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-20H;1-6H
InChIKeyYSWUYGDZTYAGRU-UHFFFAOYSA-N
XLogP15.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.35
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-bromotetracene-5,12-dione
CID 15745128
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
11-bromo-9,14-dinaphthalen-2-ylbenzo[b]triphenylene
CID 58151215
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene-7,12-dione
CID 59412590
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
11-bromobenzo[b]triphenylene-9,14-dione
CID 58151206
2,7-dinaphthalen-2-ylfluoren-9-one
CID 59245491
lithium;acetic acid;2-bromoanthracene-9,10-dione;2-bromo-9,10-dinaphthalen-2-ylanthracene;2-bromonaphthalene;butane;9,10-dinaphthalen-2-ylanthracene-9,10-diol;oxolane;hydrofluoride
CID 160535632
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
1-bromo-4-iodobenzene;2-(4-bromophenyl)naphthalene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 161268900
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene?
The IUPAC name of 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene (CID 162006378) is 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene.
What is the SMILES notation for 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene?
The canonical SMILES for 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene is Brc1ccc2c(-c3ccc4ccccc4c3)c3cc(Br)ccc3c(-c3ccc4ccccc4c3)c2c1.O=C1c2ccc(Br)cc2C(=O)c2ccc(Br)cc21.
What is the InChIKey of 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene?
The InChIKey is YSWUYGDZTYAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Br2.C14H6Br2O2/c35-27-14-16-30-31(19-27)33(25-11-9-21-5-1-3-7-23(21)17-25)29-15-13-28(36)20-32(29)34(30)26-12-10-22-6-2-4-8-24(22)18-26;15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-20H;1-6H.
What are the key properties of 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene?
2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene has a molecular weight of 954.35 g/mol, XLogP of 15.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromoanthracene-9,10-dione;2,6-dibromo-9,10-dinaphthalen-2-ylanthracene is sourced from PubChem (CID 162006378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).