9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene

C26H15BrCl2 — CID 160714288

IUPAC9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene
SMILESClc1cccc2c(-c3ccc(Br)cc3)c3c(Cl)cccc3c(-c3ccccc3)c12
InChIInChI=1S/C26H15BrCl2/c27-18-14-12-17(13-15-18)24-20-9-5-10-21(28)25(20)23(16-6-2-1-3-7-16)19-8-4-11-22(29)26(19)24/h1-15H
InChIKeyHBQABDREABVIBI-UHFFFAOYSA-N
MW478.22 g/mol
LogP9.40
Rot. Bonds2

About 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene

9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene (PubChem CID 160714288) has the molecular formula C26H15BrCl2 and a molecular weight of 478.22 g/mol. Its IUPAC name is 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene.

Molecular Properties

Compound Name9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene
PubChem CID160714288
Molecular FormulaC26H15BrCl2
Molecular Weight478.22 g/mol
Exact Mass475.97
IUPAC Name9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene
SMILESClc1cccc2c(-c3ccc(Br)cc3)c3c(Cl)cccc3c(-c3ccccc3)c12
InChIInChI=1S/C26H15BrCl2/c27-18-14-12-17(13-15-18)24-20-9-5-10-21(28)25(20)23(16-6-2-1-3-7-16)19-8-4-11-22(29)26(19)24/h1-15H
InChIKeyHBQABDREABVIBI-UHFFFAOYSA-N
XLogP9.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.22
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
5-bromo-1,3-dichloro-2-phenylbenzene
CID 54302815
1-bromo-4-(2-chlorophenyl)benzene
CID 12939408
1,5-dichloro-9,10-bis(3-methoxyphenyl)anthracene
CID 10790094
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
9-[2-(4-bromophenyl)-3,4,5,6-tetraphenylphenyl]carbazole
CID 134517217
4-[2-(4-bromophenyl)-6-chlorophenyl]phenol
CID 173457120
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
2-bromo-9,10-diphenylanthracene
CID 22247163

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene?
The IUPAC name of 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene (CID 160714288) is 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene.
What is the SMILES notation for 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene?
The canonical SMILES for 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene is Clc1cccc2c(-c3ccc(Br)cc3)c3c(Cl)cccc3c(-c3ccccc3)c12.
What is the InChIKey of 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene?
The InChIKey is HBQABDREABVIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15BrCl2/c27-18-14-12-17(13-15-18)24-20-9-5-10-21(28)25(20)23(16-6-2-1-3-7-16)19-8-4-11-22(29)26(19)24/h1-15H.
What are the key properties of 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene?
9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene has a molecular weight of 478.22 g/mol, XLogP of 9.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-1,5-dichloro-10-phenylanthracene is sourced from PubChem (CID 160714288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).