10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene

C32H21Br — CID 142716263

IUPAC10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c4ccccc4c(Br)c4ccc(-c5ccccc5)cc34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C32H21Br/c33-32-28-14-8-7-13-27(28)31(25-17-15-24(16-18-25)22-9-3-1-4-10-22)30-21-26(19-20-29(30)32)23-11-5-2-6-12-23/h1-21H/i1D,3D,4D,9D,10D,15D,16D,17D,18D
InChIKeyNGUZRYYKSIYQOV-DFHGVZIXSA-N
MW494.48 g/mol
LogP9.76
Rot. Bonds3

About 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene

10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene (PubChem CID 142716263) has the molecular formula C32H21Br and a molecular weight of 494.48 g/mol. Its IUPAC name is 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene.

Molecular Properties

Compound Name10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
PubChem CID142716263
Molecular FormulaC32H21Br
Molecular Weight494.48 g/mol
Exact Mass493.14
IUPAC Name10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c4ccccc4c(Br)c4ccc(-c5ccccc5)cc34)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C32H21Br/c33-32-28-14-8-7-13-27(28)31(25-17-15-24(16-18-25)22-9-3-1-4-10-22)30-21-26(19-20-29(30)32)23-11-5-2-6-12-23/h1-21H/i1D,3D,4D,9D,10D,15D,16D,17D,18D
InChIKeyNGUZRYYKSIYQOV-DFHGVZIXSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.48
LogP ≤ 59.76
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

9,10-bis(2,3,4,5,6-pentadeuteriophenyl)-2,6-diphenylanthracene
CID 140747032
9,10-bis(2,3,4,5,6-pentadeuteriophenyl)-2,7-diphenylanthracene
CID 140747027
10-bromo-2-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(4-phenylphenyl)anthracene
CID 142716272
10-bromo-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 142716268
2-(2,3,4,5,6-pentadeuteriophenyl)-8-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170663486
3-(2,3,4,5,6-pentadeuteriophenyl)-7-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170664321
6-[4-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylanthracen-9-yl]phenyl]phenyl]benzo[a]pyrene
CID 140593077
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[4-(10-phenylphenanthren-9-yl)phenyl]anthracene
CID 176646825
4-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylanthracen-9-yl]phenyl]benzo[a]anthracene
CID 140593089

Frequently Asked Questions

What is the IUPAC name of 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene?
The IUPAC name of 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene (CID 142716263) is 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene.
What is the SMILES notation for 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene?
The canonical SMILES for 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3c4ccccc4c(Br)c4ccc(-c5ccccc5)cc34)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene?
The InChIKey is NGUZRYYKSIYQOV-DFHGVZIXSA-N. The full InChI is InChI=1S/C32H21Br/c33-32-28-14-8-7-13-27(28)31(25-17-15-24(16-18-25)22-9-3-1-4-10-22)30-21-26(19-20-29(30)32)23-11-5-2-6-12-23/h1-21H/i1D,3D,4D,9D,10D,15D,16D,17D,18D.
What are the key properties of 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene?
10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene has a molecular weight of 494.48 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene is sourced from PubChem (CID 142716263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).