9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene

C50H32 — CID 153466528

IUPAC9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C50H32/c1-3-20-37-33(14-1)16-12-28-39(37)35-18-11-19-36(32-35)40-30-31-48(42-23-6-5-22-41(40)42)50-46-26-9-7-24-44(46)49(45-25-8-10-27-47(45)50)43-29-13-17-34-15-2-4-21-38(34)43/h1-32H
InChIKeyDFOSGFZVYAJLRI-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene

9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene (PubChem CID 153466528) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
PubChem CID153466528
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C50H32/c1-3-20-37-33(14-1)16-12-28-39(37)35-18-11-19-36(32-35)40-30-31-48(42-23-6-5-22-41(40)42)50-46-26-9-7-24-44(46)49(45-25-8-10-27-47(45)50)43-29-13-17-34-15-2-4-21-38(34)43/h1-32H
InChIKeyDFOSGFZVYAJLRI-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1,10-dinaphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)anthracene
CID 58322712
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene (CID 153466528) is 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene is c1cc(-c2cccc3ccccc23)cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene?
The InChIKey is DFOSGFZVYAJLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-20-37-33(14-1)16-12-28-39(37)35-18-11-19-36(32-35)40-30-31-48(42-23-6-5-22-41(40)42)50-46-26-9-7-24-44(46)49(45-25-8-10-27-47(45)50)43-29-13-17-34-15-2-4-21-38(34)43/h1-32H.
What are the key properties of 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene?
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 153466528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).