2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene

C50H32 — CID 58322939

IUPAC2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C50H32/c1-4-21-39-33(13-1)16-10-26-42(39)36-19-9-20-38(31-36)49-45-24-7-8-25-46(45)50(44-28-12-18-35-15-3-6-23-41(35)44)48-32-37(29-30-47(48)49)43-27-11-17-34-14-2-5-22-40(34)43/h1-32H
InChIKeyLNMAJDXOONPZCH-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene

2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 58322939) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
PubChem CID58322939
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C50H32/c1-4-21-39-33(13-1)16-10-26-42(39)36-19-9-20-38(31-36)49-45-24-7-8-25-46(45)50(44-28-12-18-35-15-3-6-23-41(35)44)48-32-37(29-30-47(48)49)43-27-11-17-34-14-2-5-22-40(34)43/h1-32H
InChIKeyLNMAJDXOONPZCH-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

2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767

Frequently Asked Questions

What is the IUPAC name of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene (CID 58322939) is 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c1.
What is the InChIKey of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene?
The InChIKey is LNMAJDXOONPZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-4-21-39-33(13-1)16-10-26-42(39)36-19-9-20-38(31-36)49-45-24-7-8-25-46(45)50(44-28-12-18-35-15-3-6-23-41(35)44)48-32-37(29-30-47(48)49)43-27-11-17-34-14-2-5-22-40(34)43/h1-32H.
What are the key properties of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene?
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)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 2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 58322939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).