1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene

C36H24 — CID 166571661

About 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene

1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene (PubChem CID 166571661) has the molecular formula C36H24 and a molecular weight of 479.73 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene
• PubChem CID: 166571661
• Molecular Formula: C36H24
• Molecular Weight: 479.73 g/mol
• Exact Mass: 479.33
• IUPAC Name: 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene
• SMILES: [2H]c1cc2c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c([2H])c4c3[2H])c2c([2H])c1[2H]
• InChI: InChI=1S/C36H24/c1-3-11-25(12-4-1)27-19-20-29-24-30(22-21-28(29)23-27)36-33-17-9-7-15-31(33)35(26-13-5-2-6-14-26)32-16-8-10-18-34(32)36/h1-24H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,17D,18D,19D,20D,21D,22D,23D,24D
• InChIKey: VCPIEPXTGDMGSK-FMUSEQHTSA-N
• XLogP: 10.15
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.73
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene?

The IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene (CID 166571661) is 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene.

What is the SMILES notation for 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene?

The canonical SMILES for 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene is [2H]c1cc2c(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c3c([2H])c([2H])c([2H])c([2H])c3c(-c3c([2H])c([2H])c4c([2H])c(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c([2H])c4c3[2H])c2c([2H])c1[2H].

What is the InChIKey of 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene?

The InChIKey is VCPIEPXTGDMGSK-FMUSEQHTSA-N. The full InChI is InChI=1S/C36H24/c1-3-11-25(12-4-1)27-19-20-29-24-30(22-21-28(29)23-27)36-33-17-9-7-15-31(33)35(26-13-5-2-6-14-26)32-16-8-10-18-34(32)36/h1-24H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,17D,18D,19D,20D,21D,22D,23D,24D.

What are the key properties of 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene?

1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene has a molecular weight of 479.73 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,7-heptadeuterio-10-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)anthracene is sourced from PubChem (CID 166571661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).