2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene

C20H13Br — CID 164958779

IUPAC2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene
SMILES[2H]c1c(-c2ccc3ccccc3c2)c([2H])c2c([2H])c([2H])c(Br)c([2H])c2c1[2H]
InChIInChI=1S/C20H13Br/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H/i7D,8D,9D,10D,12D,13D
InChIKeyBPSRUMBGSVISHE-ZDGOMMNVSA-N
MW339.26 g/mol
LogP6.42
Rot. Bonds1

About 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene

2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene (PubChem CID 164958779) has the molecular formula C20H13Br and a molecular weight of 339.26 g/mol. Its IUPAC name is 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene.

Molecular Properties

Compound Name2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene
PubChem CID164958779
Molecular FormulaC20H13Br
Molecular Weight339.26 g/mol
Exact Mass338.06
IUPAC Name2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene
SMILES[2H]c1c(-c2ccc3ccccc3c2)c([2H])c2c([2H])c([2H])c(Br)c([2H])c2c1[2H]
InChIInChI=1S/C20H13Br/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H/i7D,8D,9D,10D,12D,13D
InChIKeyBPSRUMBGSVISHE-ZDGOMMNVSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.26
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-naphthalen-2-ylanthracene
CID 167405821
2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-(1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,2-dioxaborolane
CID 165090360
2-(3-bromo-5-chlorophenyl)naphthalene
CID 141471222
benzo[f]azulene
CID 13065869
4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine
CID 164939306
9-bromo-1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracene
CID 58142215
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine
CID 164970097
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
2-[3-[6-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)naphthalen-2-yl]phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazine
CID 165102313
2-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-7-naphthalen-2-yldibenzofuran
CID 167406941
4,5,6,7,11,12,16,18,19-nonadeuterio-17-[1,3,4,5,7,8-hexadeuterio-6-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 170688349
6-anthracen-2-yl-1,3,4,5,7,8-hexadeuterio-N,N-bis[4-(1,3,4-oxadiazol-2-yl)phenyl]naphthalen-2-amine
CID 164939355

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene?
The IUPAC name of 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene (CID 164958779) is 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene.
What is the SMILES notation for 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene?
The canonical SMILES for 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene is [2H]c1c(-c2ccc3ccccc3c2)c([2H])c2c([2H])c([2H])c(Br)c([2H])c2c1[2H].
What is the InChIKey of 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene?
The InChIKey is BPSRUMBGSVISHE-ZDGOMMNVSA-N. The full InChI is InChI=1S/C20H13Br/c21-20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-13H/i7D,8D,9D,10D,12D,13D.
What are the key properties of 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene?
2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene has a molecular weight of 339.26 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,4,5,7,8-hexadeuterio-6-naphthalen-2-ylnaphthalene is sourced from PubChem (CID 164958779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).