9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene

C48H30O — CID 90290732

IUPAC9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
SMILESc1ccc2c(-c3c4ccccc4c(Oc4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C48H30O/c1-3-19-33-31(15-1)17-13-29-35(33)45-37-21-5-9-25-41(37)47(42-26-10-6-22-38(42)45)49-48-43-27-11-7-23-39(43)46(40-24-8-12-28-44(40)48)36-30-14-18-32-16-2-4-20-34(32)36/h1-30H
InChIKeyIRNVZUPVFJYKQA-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.73
Rot. Bonds4

About 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene

9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene (PubChem CID 90290732) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
PubChem CID90290732
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
SMILESc1ccc2c(-c3c4ccccc4c(Oc4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C48H30O/c1-3-19-33-31(15-1)17-13-29-35(33)45-37-21-5-9-25-41(37)47(42-26-10-6-22-38(42)45)49-48-43-27-11-7-23-39(43)46(40-24-8-12-28-44(40)48)36-30-14-18-32-16-2-4-20-34(32)36/h1-30H
InChIKeyIRNVZUPVFJYKQA-UHFFFAOYSA-N
XLogP13.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
(10-naphthalen-1-ylanthracen-9-yl)boronic acid
CID 23088558
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene?
The IUPAC name of 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene (CID 90290732) is 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene is c1ccc2c(-c3c4ccccc4c(Oc4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene?
The InChIKey is IRNVZUPVFJYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-3-19-33-31(15-1)17-13-29-35(33)45-37-21-5-9-25-41(37)47(42-26-10-6-22-38(42)45)49-48-43-27-11-7-23-39(43)46(40-24-8-12-28-44(40)48)36-30-14-18-32-16-2-4-20-34(32)36/h1-30H.
What are the key properties of 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene?
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene has a molecular weight of 622.77 g/mol, XLogP of 13.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene is sourced from PubChem (CID 90290732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).