9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene

C30H19Br — CID 171449361

IUPAC9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene
SMILES[2H]c1ccc2cc(-c3ccccc3-c3c4ccccc4c(Br)c4ccccc34)ccc2c1
InChIInChI=1S/C30H19Br/c31-30-27-15-7-5-13-25(27)29(26-14-6-8-16-28(26)30)24-12-4-3-11-23(24)22-18-17-20-9-1-2-10-21(20)19-22/h1-19H/i1D
InChIKeyUJIIORUHIICQGV-MICDWDOJSA-N
MW460.39 g/mol
LogP9.24
Rot. Bonds2

About 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene

9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene (PubChem CID 171449361) has the molecular formula C30H19Br and a molecular weight of 460.39 g/mol. Its IUPAC name is 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene.

Molecular Properties

Compound Name9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene
PubChem CID171449361
Molecular FormulaC30H19Br
Molecular Weight460.39 g/mol
Exact Mass459.07
IUPAC Name9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene
SMILES[2H]c1ccc2cc(-c3ccccc3-c3c4ccccc4c(Br)c4ccccc34)ccc2c1
InChIInChI=1S/C30H19Br/c31-30-27-15-7-5-13-25(27)29(26-14-6-8-16-28(26)30)24-12-4-3-11-23(24)22-18-17-20-9-1-2-10-21(20)19-22/h1-19H/i1D
InChIKeyUJIIORUHIICQGV-MICDWDOJSA-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 ≤ 500460.39
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

7-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 171449377
6-deuterio-1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 171449697
6-deuterio-2-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 171449401
2,6-dideuterio-9,10-dinaphthalen-2-ylanthracene
CID 140869774
9-(3-deuteriophenyl)-10-(5-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 176726854
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 142716268
7-bromo-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 123375049
1-[10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]-6-propan-2-yldibenzothiophene
CID 171449602
1-[10-(6-deuterionaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 170653754
4-deuterio-1-[2-[10-[4-(6-deuterionaphthalen-2-yl)phenyl]anthracen-9-yl]phenyl]dibenzothiophene
CID 171449653

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene?
The IUPAC name of 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene (CID 171449361) is 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene.
What is the SMILES notation for 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene?
The canonical SMILES for 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene is [2H]c1ccc2cc(-c3ccccc3-c3c4ccccc4c(Br)c4ccccc34)ccc2c1.
What is the InChIKey of 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene?
The InChIKey is UJIIORUHIICQGV-MICDWDOJSA-N. The full InChI is InChI=1S/C30H19Br/c31-30-27-15-7-5-13-25(27)29(26-14-6-8-16-28(26)30)24-12-4-3-11-23(24)22-18-17-20-9-1-2-10-21(20)19-22/h1-19H/i1D.
What are the key properties of 9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene?
9-bromo-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene has a molecular weight of 460.39 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-10-[2-(6-deuterionaphthalen-2-yl)phenyl]anthracene is sourced from PubChem (CID 171449361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).