9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene

C52H32 — CID 140825341

IUPAC9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C52H32/c1-3-19-35-33(16-1)18-15-31-39(35)49-40-23-7-11-27-44(40)51(45-28-12-8-24-41(45)49)52-46-29-13-9-25-42(46)50(43-26-10-14-30-47(43)52)48-32-34-17-2-4-20-36(34)37-21-5-6-22-38(37)48/h1-32H
InChIKeyQIDNPXXTVKDQKK-UHFFFAOYSA-N
MW656.83 g/mol
LogP14.76
Rot. Bonds3

About 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene

9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene (PubChem CID 140825341) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
PubChem CID140825341
Molecular FormulaC52H32
Molecular Weight656.83 g/mol
Exact Mass656.25
IUPAC Name9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
SMILESc1ccc2c(-c3c4ccccc4c(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C52H32/c1-3-19-35-33(16-1)18-15-31-39(35)49-40-23-7-11-27-44(40)51(45-28-12-8-24-41(45)49)52-46-29-13-9-25-42(46)50(43-26-10-14-30-47(43)52)48-32-34-17-2-4-20-36(34)37-21-5-6-22-38(37)48/h1-32H
InChIKeyQIDNPXXTVKDQKK-UHFFFAOYSA-N
XLogP14.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.83
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
9-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]naphthalen-1-yl]-10-phenanthren-9-ylanthracene
CID 123404005
9-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
9-naphthalen-1-ylphenanthrene
CID 20606742
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
9-naphthalen-1-yl-10-phenanthren-9-yl-2,6-di(propan-2-yl)anthracene
CID 171415308
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
7-naphthalen-1-yl-4-[5-[4-[7-[7-(7-naphthalen-1-ylbenzo[a]anthracen-4-yl)benzo[a]anthracen-5-yl]benzo[a]anthracen-5-yl]benzo[a]anthracen-7-yl]benzo[a]anthracen-7-yl]benzo[a]anthracene
CID 59412654
2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
CID 58322783
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-phenanthren-9-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-9-yl-10-(3-phenylphenyl)anthracene
CID 162239926
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
CID 123502506

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene (CID 140825341) is 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene is c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene?
The InChIKey is QIDNPXXTVKDQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-3-19-35-33(16-1)18-15-31-39(35)49-40-23-7-11-27-44(40)51(45-28-12-8-24-41(45)49)52-46-29-13-9-25-42(46)50(43-26-10-14-30-47(43)52)48-32-34-17-2-4-20-36(34)37-21-5-6-22-38(37)48/h1-32H.
What are the key properties of 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene?
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene has a molecular weight of 656.83 g/mol, XLogP of 14.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene is sourced from PubChem (CID 140825341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).