9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine

C50H35NS — CID 143300939

IUPAC9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
SMILESNS.c1cc(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C50H32.H3NS/c1-3-14-35-30-38(26-24-33(35)12-1)42-29-28-41(43-18-5-6-19-44(42)43)37-16-11-17-39(32-37)49-45-20-7-9-22-47(45)50(48-23-10-8-21-46(48)49)40-27-25-34-13-2-4-15-36(34)31-40;1-2/h1-32H;2H,1H2
InChIKeyCACZKHCRGBEZKP-UHFFFAOYSA-N
MW681.90 g/mol
LogP13.91
Rot. Bonds4

About 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine

9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine (PubChem CID 143300939) has the molecular formula C50H35NS and a molecular weight of 681.90 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine.

Molecular Properties

Compound Name9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
PubChem CID143300939
Molecular FormulaC50H35NS
Molecular Weight681.90 g/mol
Exact Mass681.25
IUPAC Name9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
SMILESNS.c1cc(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C50H32.H3NS/c1-3-14-35-30-38(26-24-33(35)12-1)42-29-28-41(43-18-5-6-19-44(42)43)37-16-11-17-39(32-37)49-45-20-7-9-22-47(45)50(48-23-10-8-21-46(48)49)40-27-25-34-13-2-4-15-36(34)31-40;1-2/h1-32H;2H,1H2
InChIKeyCACZKHCRGBEZKP-UHFFFAOYSA-N
XLogP13.91
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.90
LogP ≤ 513.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
1,4,9-trinaphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 143913993
9-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
9-[6-(4,5-diphenylnaphthalen-1-yl)naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 123216582
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-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?
The IUPAC name of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine (CID 143300939) is 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine.
What is the SMILES notation for 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?
The canonical SMILES for 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine is NS.c1cc(-c2ccc(-c3ccc4ccccc4c3)c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?
The InChIKey is CACZKHCRGBEZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.H3NS/c1-3-14-35-30-38(26-24-33(35)12-1)42-29-28-41(43-18-5-6-19-44(42)43)37-16-11-17-39(32-37)49-45-20-7-9-22-47(45)50(48-23-10-8-21-46(48)49)40-27-25-34-13-2-4-15-36(34)31-40;1-2/h1-32H;2H,1H2.
What are the key properties of 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine?
9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine has a molecular weight of 681.90 g/mol, XLogP of 13.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine is sourced from PubChem (CID 143300939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).