1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene

C52H34 — CID 123841203

IUPAC1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C52H34/c1-3-21-41-35(13-1)15-11-27-43(41)37-17-9-19-39(33-37)45-29-31-51(49-25-7-5-23-47(45)49)52-32-30-46(48-24-6-8-26-50(48)52)40-20-10-18-38(34-40)44-28-12-16-36-14-2-4-22-42(36)44/h1-34H
InChIKeyQGVBHFRYIMSIBI-UHFFFAOYSA-N
MW658.84 g/mol
LogP14.63
Rot. Bonds5

About 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene

1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene (PubChem CID 123841203) has the molecular formula C52H34 and a molecular weight of 658.84 g/mol. Its IUPAC name is 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
PubChem CID123841203
Molecular FormulaC52H34
Molecular Weight658.84 g/mol
Exact Mass658.27
IUPAC Name1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C52H34/c1-3-21-41-35(13-1)15-11-27-43(41)37-17-9-19-39(33-37)45-29-31-51(49-25-7-5-23-47(45)49)52-32-30-46(48-24-6-8-26-50(48)52)40-20-10-18-38(34-40)44-28-12-16-36-14-2-4-22-42(36)44/h1-34H
InChIKeyQGVBHFRYIMSIBI-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene (CID 123841203) is 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene is c1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3ccc(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
The InChIKey is QGVBHFRYIMSIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34/c1-3-21-41-35(13-1)15-11-27-43(41)37-17-9-19-39(33-37)45-29-31-51(49-25-7-5-23-47(45)49)52-32-30-46(48-24-6-8-26-50(48)52)40-20-10-18-38(34-40)44-28-12-16-36-14-2-4-22-42(36)44/h1-34H.
What are the key properties of 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene?
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene has a molecular weight of 658.84 g/mol, XLogP of 14.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 123841203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).