10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene

C30H19Br — CID 142716268

IUPAC10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(Br)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c([2H])c1[2H]
InChIInChI=1S/C30H19Br/c31-30-26-13-7-6-12-25(26)29(24-15-14-21-10-4-5-11-22(21)18-24)28-19-23(16-17-27(28)30)20-8-2-1-3-9-20/h1-19H/i1D,2D,3D,8D,9D
InChIKeySCELWNRTCFOXAZ-NWCULCSXSA-N
MW464.42 g/mol
LogP9.24
Rot. Bonds2

About 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene

10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene (PubChem CID 142716268) has the molecular formula C30H19Br and a molecular weight of 464.42 g/mol. Its IUPAC name is 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene.

Molecular Properties

Compound Name10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
PubChem CID142716268
Molecular FormulaC30H19Br
Molecular Weight464.42 g/mol
Exact Mass463.10
IUPAC Name10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(Br)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c([2H])c1[2H]
InChIInChI=1S/C30H19Br/c31-30-26-13-7-6-12-25(26)29(24-15-14-21-10-4-5-11-22(21)18-24)28-19-23(16-17-27(28)30)20-8-2-1-3-9-20/h1-19H/i1D,2D,3D,8D,9D
InChIKeySCELWNRTCFOXAZ-NWCULCSXSA-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 ≤ 500464.42
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-tetradeuterio-6,9,10-trinaphthalen-2-ylanthracene
CID 58518603
10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
CID 142716263
9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 58194480
2-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene
CID 162703120
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracene
CID 58142215
9-bromo-10-(3-naphthalen-2-ylphenyl)anthracene
CID 59523782
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
1-naphthalen-2-yl-6-[2-(2,3,4,5,6-pentadeuteriophenyl)-10-phenylanthracen-9-yl]pyrene
CID 171415202
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene
CID 140620857
1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(2,3,5,6-tetradeuterio-4-naphthalen-2-ylphenyl)anthracene
CID 167407292

Frequently Asked Questions

What is the IUPAC name of 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene?
The IUPAC name of 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene (CID 142716268) is 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene.
What is the SMILES notation for 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene?
The canonical SMILES for 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene is [2H]c1c([2H])c([2H])c(-c2ccc3c(Br)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c([2H])c1[2H].
What is the InChIKey of 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene?
The InChIKey is SCELWNRTCFOXAZ-NWCULCSXSA-N. The full InChI is InChI=1S/C30H19Br/c31-30-26-13-7-6-12-25(26)29(24-15-14-21-10-4-5-11-22(21)18-24)28-19-23(16-17-27(28)30)20-8-2-1-3-9-20/h1-19H/i1D,2D,3D,8D,9D.
What are the key properties of 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene?
10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene has a molecular weight of 464.42 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 10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene is sourced from PubChem (CID 142716268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).