9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene

C30H19Br — CID 153473902

IUPAC9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4cccc5ccccc45)cc3)c3c([2H])c([2H])c([2H])c([2H])c3c(Br)c2c1[2H]
InChIInChI=1S/C30H19Br/c31-30-27-13-5-3-11-25(27)29(26-12-4-6-14-28(26)30)22-18-16-21(17-19-22)24-15-7-9-20-8-1-2-10-23(20)24/h1-19H/i3D,4D,5D,6D,11D,12D,13D,14D
InChIKeyAEIPFESDNDUXNK-VOGGJYSRSA-N
MW467.43 g/mol
LogP9.24
Rot. Bonds2

About 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene

9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene (PubChem CID 153473902) has the molecular formula C30H19Br and a molecular weight of 467.43 g/mol. Its IUPAC name is 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene
PubChem CID153473902
Molecular FormulaC30H19Br
Molecular Weight467.43 g/mol
Exact Mass466.12
IUPAC Name9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4cccc5ccccc45)cc3)c3c([2H])c([2H])c([2H])c([2H])c3c(Br)c2c1[2H]
InChIInChI=1S/C30H19Br/c31-30-27-13-5-3-11-25(27)29(26-12-4-6-14-28(26)30)22-18-16-21(17-19-22)24-15-7-9-20-8-1-2-10-23(20)24/h1-19H/i3D,4D,5D,6D,11D,12D,13D,14D
InChIKeyAEIPFESDNDUXNK-VOGGJYSRSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.43
LogP ≤ 59.24
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

1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)anthracene
CID 166587941
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-1-yl-10-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)anthracene
CID 167406715
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
1,2,3,4,6,7,9-heptadeuterio-8-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 167405471
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 153436615
1,2,3,4,5,6,8-heptadeuterio-9-naphthalen-1-yl-10-phenyl-7-(4-phenylnaphthalen-1-yl)anthracene
CID 167425230
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracene
CID 153436434
1,2,3,4,5,6,8-heptadeuterio-10-(3,5-diphenylphenyl)-7-naphthalen-1-yl-9-phenylanthracene
CID 155641902
1,2,3,4,5,6,8-heptadeuterio-10-naphthalen-1-yl-7-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 155641476
1,2,3,4,5,6,7,8-octadeuterio-9-[3-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 176646878
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracene
CID 58142215
1,2,3,4,6,8,9-heptadeuterio-7-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 167406955

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene (CID 153473902) is 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene is [2H]c1c([2H])c([2H])c2c(-c3ccc(-c4cccc5ccccc45)cc3)c3c([2H])c([2H])c([2H])c([2H])c3c(Br)c2c1[2H].
What is the InChIKey of 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene?
The InChIKey is AEIPFESDNDUXNK-VOGGJYSRSA-N. The full InChI is InChI=1S/C30H19Br/c31-30-27-13-5-3-11-25(27)29(26-12-4-6-14-28(26)30)22-18-16-21(17-19-22)24-15-7-9-20-8-1-2-10-23(20)24/h1-19H/i3D,4D,5D,6D,11D,12D,13D,14D.
What are the key properties of 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene?
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene has a molecular weight of 467.43 g/mol, XLogP of 9.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 153473902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).