9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene

C44H28S — CID 89182136

IUPAC9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene
SMILESc1ccc2cc(-c3cccc4c(-c5c6ccccc6c(Sc6cccc7ccccc67)c6ccccc56)cccc34)ccc2c1
InChIInChI=1S/C44H28S/c1-2-14-31-28-32(27-26-29(31)12-1)33-21-10-23-36-35(33)22-11-24-37(36)43-38-17-5-7-19-40(38)44(41-20-8-6-18-39(41)43)45-42-25-9-15-30-13-3-4-16-34(30)42/h1-28H
InChIKeyLNHMGIGXPXKNRK-UHFFFAOYSA-N
MW588.78 g/mol
LogP12.94
Rot. Bonds4

About 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene

9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene (PubChem CID 89182136) has the molecular formula C44H28S and a molecular weight of 588.78 g/mol. Its IUPAC name is 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene.

Molecular Properties

Compound Name9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene
PubChem CID89182136
Molecular FormulaC44H28S
Molecular Weight588.78 g/mol
Exact Mass588.19
IUPAC Name9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene
SMILESc1ccc2cc(-c3cccc4c(-c5c6ccccc6c(Sc6cccc7ccccc67)c6ccccc56)cccc34)ccc2c1
InChIInChI=1S/C44H28S/c1-2-14-31-28-32(27-26-29(31)12-1)33-21-10-23-36-35(33)22-11-24-37(36)43-38-17-5-7-19-40(38)44(41-20-8-6-18-39(41)43)45-42-25-9-15-30-13-3-4-16-34(30)42/h1-28H
InChIKeyLNHMGIGXPXKNRK-UHFFFAOYSA-N
XLogP12.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.78
LogP ≤ 512.94
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-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
10-naphthalen-1-yl-1-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene
CID 58323203
9-(4-naphthalen-2-ylphenyl)-10-[4-[5-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]phenyl]anthracene
CID 59523732
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
CID 58322843
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552

Frequently Asked Questions

What is the IUPAC name of 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene?
The IUPAC name of 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene (CID 89182136) is 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene.
What is the SMILES notation for 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene?
The canonical SMILES for 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene is c1ccc2cc(-c3cccc4c(-c5c6ccccc6c(Sc6cccc7ccccc67)c6ccccc56)cccc34)ccc2c1.
What is the InChIKey of 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene?
The InChIKey is LNHMGIGXPXKNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28S/c1-2-14-31-28-32(27-26-29(31)12-1)33-21-10-23-36-35(33)22-11-24-37(36)43-38-17-5-7-19-40(38)44(41-20-8-6-18-39(41)43)45-42-25-9-15-30-13-3-4-16-34(30)42/h1-28H.
What are the key properties of 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene?
9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene has a molecular weight of 588.78 g/mol, XLogP of 12.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-naphthalen-1-ylsulfanylanthracene is sourced from PubChem (CID 89182136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).