2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene

C54H36 — CID 143617541

IUPAC2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene
SMILESC1=c2ccc(-c3cccc4c(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cccc34)cc2=CCC1
InChIInChI=1S/C54H36/c1-4-14-38-31-41(26-23-35(38)11-1)45-19-9-22-48-46(20-10-21-47(45)48)42-29-30-51-52(34-42)54(44-28-25-37-13-3-6-16-40(37)33-44)50-18-8-7-17-49(50)53(51)43-27-24-36-12-2-5-15-39(36)32-43/h2-3,5-34H,1,4H2
InChIKeyBPMFOEQPYVUJAE-UHFFFAOYSA-N
MW684.88 g/mol
LogP13.48
Rot. Bonds4

About 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene

2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene (PubChem CID 143617541) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene.

Molecular Properties

Compound Name2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene
PubChem CID143617541
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene
SMILESC1=c2ccc(-c3cccc4c(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cccc34)cc2=CCC1
InChIInChI=1S/C54H36/c1-4-14-38-31-41(26-23-35(38)11-1)45-19-9-22-48-46(20-10-21-47(45)48)42-29-30-51-52(34-42)54(44-28-25-37-13-3-6-16-40(37)33-44)50-18-8-7-17-49(50)53(51)43-27-24-36-12-2-5-15-39(36)32-43/h2-3,5-34H,1,4H2
InChIKeyBPMFOEQPYVUJAE-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 513.48
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
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene?
The IUPAC name of 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene (CID 143617541) is 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene.
What is the SMILES notation for 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene?
The canonical SMILES for 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene is C1=c2ccc(-c3cccc4c(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cccc34)cc2=CCC1.
What is the InChIKey of 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene?
The InChIKey is BPMFOEQPYVUJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-4-14-38-31-41(26-23-35(38)11-1)45-19-9-22-48-46(20-10-21-47(45)48)42-29-30-51-52(34-42)54(44-28-25-37-13-3-6-16-40(37)33-44)50-18-8-7-17-49(50)53(51)43-27-24-36-12-2-5-15-39(36)32-43/h2-3,5-34H,1,4H2.
What are the key properties of 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene?
2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene has a molecular weight of 684.88 g/mol, XLogP of 13.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene is sourced from PubChem (CID 143617541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).