9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene

C44H30 — CID 153454289

IUPAC9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
SMILESC1=CC2=CC=CC(c3ccc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4c3)C2C=C1
InChIInChI=1S/C44H30/c1-3-15-35-30(11-1)13-9-21-37(35)32-25-23-29-24-26-33(28-34(29)27-32)43-39-17-5-7-19-41(39)44(42-20-8-6-18-40(42)43)38-22-10-14-31-12-2-4-16-36(31)38/h1-28,35,37H
InChIKeyAFIVEHJZRZMZQL-UHFFFAOYSA-N
MW558.72 g/mol
LogP11.96
Rot. Bonds3

About 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene

9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene (PubChem CID 153454289) has the molecular formula C44H30 and a molecular weight of 558.72 g/mol. Its IUPAC name is 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
PubChem CID153454289
Molecular FormulaC44H30
Molecular Weight558.72 g/mol
Exact Mass558.23
IUPAC Name9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
SMILESC1=CC2=CC=CC(c3ccc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4c3)C2C=C1
InChIInChI=1S/C44H30/c1-3-15-35-30(11-1)13-9-21-37(35)32-25-23-29-24-26-33(28-34(29)27-32)43-39-17-5-7-19-41(39)44(42-20-8-6-18-40(42)43)38-22-10-14-31-12-2-4-16-36(31)38/h1-28,35,37H
InChIKeyAFIVEHJZRZMZQL-UHFFFAOYSA-N
XLogP11.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 511.96
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-[3-(6-cyclohexa-2,4-dien-1-ylnaphthalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene
CID 143848226
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9-naphthalen-1-yl-10-[7-[3-[3-(3-phenylphenyl)phenyl]phenyl]naphthalen-2-yl]anthracene
CID 140855946
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
1-[7-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]triphenylene
CID 160935690
9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-[7-(2,4-diphenylphenyl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene
CID 123233888
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112

Frequently Asked Questions

What is the IUPAC name of 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene?
The IUPAC name of 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene (CID 153454289) is 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene?
The canonical SMILES for 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene is C1=CC2=CC=CC(c3ccc4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4c3)C2C=C1.
What is the InChIKey of 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene?
The InChIKey is AFIVEHJZRZMZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30/c1-3-15-35-30(11-1)13-9-21-37(35)32-25-23-29-24-26-33(28-34(29)27-32)43-39-17-5-7-19-41(39)44(42-20-8-6-18-40(42)43)38-22-10-14-31-12-2-4-16-36(31)38/h1-28,35,37H.
What are the key properties of 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene?
9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene has a molecular weight of 558.72 g/mol, XLogP of 11.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(1,8a-dihydronaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-1-ylanthracene is sourced from PubChem (CID 153454289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).