9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene

C₃₄H₃₀ — CID 168834157

About 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene

9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene (PubChem CID 168834157) has the molecular formula C₃₄H₃₀ and a molecular weight of 438.61 g/mol. Its IUPAC name is 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene.

Molecular Properties

• Compound Name: 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
• PubChem CID: 168834157
• Molecular Formula: C₃₄H₃₀
• Molecular Weight: 438.61 g/mol
• Exact Mass: 438.23
• IUPAC Name: 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene
• SMILES: C1=CC2C(C3=CC4=C(C=CCC4)CC3)=c3ccccc3=C(C3=Cc4ccccc4CC3)C2C=C1
• InChI: InChI=1S/C34H30/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-3,5-11,13-16,21-22,29,31H,4,12,17-20H2
• InChIKey: PUJBOFIIVXLQKF-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.61
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?

The IUPAC name of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene (CID 168834157) is 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene.

What is the SMILES notation for 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?

The canonical SMILES for 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene is C1=CC2C(C3=CC4=C(C=CCC4)CC3)=c3ccccc3=C(C3=Cc4ccccc4CC3)C2C=C1.

What is the InChIKey of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?

The InChIKey is PUJBOFIIVXLQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-3,5-11,13-16,21-22,29,31H,4,12,17-20H2.

What are the key properties of 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene?

9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene has a molecular weight of 438.61 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,4-dihydronaphthalen-2-yl)-10-(3,4,7,8-tetrahydronaphthalen-2-yl)-4a,9a-dihydroanthracene is sourced from PubChem (CID 168834157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168834157 — identifiers, structure, computed properties (public domain)

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