1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene

C50H32 — CID 143896895

IUPAC1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3cccc(-c4ccc5ccccc5c4)c3cc3cccc(-c4cccc5ccccc45)c23)c1
InChIInChI=1S/C50H32/c1-3-14-36-29-39(27-25-33(36)11-1)38-17-7-18-41(31-38)49-47-24-10-21-44(40-28-26-34-12-2-4-15-37(34)30-40)48(47)32-42-19-9-23-46(50(42)49)45-22-8-16-35-13-5-6-20-43(35)45/h1-32H
InChIKeyKZJZBRKZDGDELZ-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene

1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 143896895) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
PubChem CID143896895
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3cccc(-c4ccc5ccccc5c4)c3cc3cccc(-c4cccc5ccccc45)c23)c1
InChIInChI=1S/C50H32/c1-3-14-36-29-39(27-25-33(36)11-1)38-17-7-18-41(31-38)49-47-24-10-21-44(40-28-26-34-12-2-4-15-37(34)30-40)48(47)32-42-19-9-23-46(50(42)49)45-22-8-16-35-13-5-6-20-43(35)45/h1-32H
InChIKeyKZJZBRKZDGDELZ-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-2-ylphenyl)naphthalene
CID 153293143
10-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-1-(4-phenylphenyl)anthracene
CID 161483242
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
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
bis(9-(2-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene);9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 165092129
7-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535955
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene (CID 143896895) is 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3cccc(-c4ccc5ccccc5c4)c3cc3cccc(-c4cccc5ccccc45)c23)c1.
What is the InChIKey of 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is KZJZBRKZDGDELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-3-14-36-29-39(27-25-33(36)11-1)38-17-7-18-41(31-38)49-47-24-10-21-44(40-28-26-34-12-2-4-15-37(34)30-40)48(47)32-42-19-9-23-46(50(42)49)45-22-8-16-35-13-5-6-20-43(35)45/h1-32H.
What are the key properties of 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene?
1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-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 1-naphthalen-1-yl-5-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 143896895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).