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

C50H32 — CID 58323142

IUPAC2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C50H32/c1-2-15-36-30-38(27-26-33(36)12-1)37-18-9-19-40(31-37)49-45-22-7-8-23-46(45)50(44-25-11-17-35-14-4-6-21-42(35)44)48-32-39(28-29-47(48)49)43-24-10-16-34-13-3-5-20-41(34)43/h1-32H
InChIKeyARRXIGNUSQIGQA-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

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

2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 58323142) 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-2-ylphenyl)anthracene.

Molecular Properties

Compound Name2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
PubChem CID58323142
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C50H32/c1-2-15-36-30-38(27-26-33(36)12-1)37-18-9-19-40(31-37)49-45-22-7-8-23-46(45)50(44-25-11-17-35-14-4-6-21-42(35)44)48-32-39(28-29-47(48)49)43-24-10-16-34-13-3-5-20-41(34)43/h1-32H
InChIKeyARRXIGNUSQIGQA-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-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
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]triphenylene;2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]triphenylene;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]triphenylene
CID 157295942
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169

Frequently Asked Questions

What is the IUPAC name of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene (CID 58323142) is 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c1.
What is the InChIKey of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is ARRXIGNUSQIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-15-36-30-38(27-26-33(36)12-1)37-18-9-19-40(31-37)49-45-22-7-8-23-46(45)50(44-25-11-17-35-14-4-6-21-42(35)44)48-32-39(28-29-47(48)49)43-24-10-16-34-13-3-5-20-41(34)43/h1-32H.
What are the key properties of 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene?
2,9-dinaphthalen-1-yl-10-(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 2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 58323142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).