9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene

C58H38 — CID 143539913

IUPAC9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
SMILESC1=c2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3cccc4c(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cccc34)c2=CCC1
InChIInChI=1S/C58H38/c1-3-17-39-35-41(33-31-37(39)15-1)55-47-19-5-9-23-51(47)57(52-24-10-6-20-48(52)55)45-29-13-28-44-43(45)27-14-30-46(44)58-53-25-11-7-21-49(53)56(50-22-8-12-26-54(50)58)42-34-32-38-16-2-4-18-40(38)36-42/h1-7,9-11,13-36H,8,12H2
InChIKeyKLJJSPSKXUIDIN-UHFFFAOYSA-N
MW734.94 g/mol
LogP14.63
Rot. Bonds4

About 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene

9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene (PubChem CID 143539913) has the molecular formula C58H38 and a molecular weight of 734.94 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
PubChem CID143539913
Molecular FormulaC58H38
Molecular Weight734.94 g/mol
Exact Mass734.30
IUPAC Name9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
SMILESC1=c2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3cccc4c(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cccc34)c2=CCC1
InChIInChI=1S/C58H38/c1-3-17-39-35-41(33-31-37(39)15-1)55-47-19-5-9-23-51(47)57(52-24-10-6-20-48(52)55)45-29-13-28-44-43(45)27-14-30-46(44)58-53-25-11-7-21-49(53)56(50-22-8-12-26-54(50)58)42-34-32-38-16-2-4-18-40(38)36-42/h1-7,9-11,13-36H,8,12H2
InChIKeyKLJJSPSKXUIDIN-UHFFFAOYSA-N
XLogP14.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 514.63
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

ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine
CID 89218094
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
2-[5-(6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-9,10-dinaphthalen-2-ylanthracene
CID 143617541
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene?
The IUPAC name of 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene (CID 143539913) is 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene?
The canonical SMILES for 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene is C1=c2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3cccc4c(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cccc34)c2=CCC1.
What is the InChIKey of 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene?
The InChIKey is KLJJSPSKXUIDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38/c1-3-17-39-35-41(33-31-37(39)15-1)55-47-19-5-9-23-51(47)57(52-24-10-6-20-48(52)55)45-29-13-28-44-43(45)27-14-30-46(44)58-53-25-11-7-21-49(53)56(50-22-8-12-26-54(50)58)42-34-32-38-16-2-4-18-40(38)36-42/h1-7,9-11,13-36H,8,12H2.
What are the key properties of 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene?
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene has a molecular weight of 734.94 g/mol, XLogP of 14.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 143539913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).