1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene

C20H14 — CID 175835765

IUPAC1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene
SMILES[2H]c1c(-c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2[2H])c([2H])c2cccc([2H])c2c1[2H]
InChIInChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H/i1D,3D,5D,6D,7D,9D,10D,11D,12D,13D,14D
InChIKeyMSBVBOUOMVTWKE-RXNSOKHJSA-N
MW265.40 g/mol
LogP5.66
Rot. Bonds1

About 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene

1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene (PubChem CID 175835765) has the molecular formula C20H14 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene
PubChem CID175835765
Molecular FormulaC20H14
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene
SMILES[2H]c1c(-c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2[2H])c([2H])c2cccc([2H])c2c1[2H]
InChIInChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H/i1D,3D,5D,6D,7D,9D,10D,11D,12D,13D,14D
InChIKeyMSBVBOUOMVTWKE-RXNSOKHJSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene 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-chloro-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 171417700
1-deuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracene
CID 164842244
2-chloro-4-(4-phenylphenyl)-6-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171731271
9-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-10-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)anthracene
CID 162507875
1,2,3,4,5,6,8-heptadeuterio-10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-naphthalen-1-yl-7-phenylanthracene
CID 155641892
1,2,3,4,5,8-hexadeuterio-6-(2,3,5,6-tetradeuterio-4-methylphenyl)naphthalene
CID 176595393
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-[2,3,4,6-tetradeuterio-5-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracene
CID 166587736
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
10-bromo-2-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)-9-(4-phenylphenyl)anthracene
CID 142716272
1,3,4,6,7,8,9,10,11-nonadeuterio-2-[10-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 170663753
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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene (CID 175835765) is 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene is [2H]c1c(-c2c([2H])c([2H])c3c([2H])c([2H])c([2H])c([2H])c3c2[2H])c([2H])c2cccc([2H])c2c1[2H].
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene?
The InChIKey is MSBVBOUOMVTWKE-RXNSOKHJSA-N. The full InChI is InChI=1S/C20H14/c1-3-7-17-13-19(11-9-15(17)5-1)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H/i1D,3D,5D,6D,7D,9D,10D,11D,12D,13D,14D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene?
1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene has a molecular weight of 265.40 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-7-(1,3,4,5-tetradeuterionaphthalen-2-yl)naphthalene is sourced from PubChem (CID 175835765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).