3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C48H30O2 — CID 10304836

IUPAC3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1c(-c2c3ccccc3cc3ccccc23)cc2ccccc2c1-c1c(O)c(-c2c3ccccc3cc3ccccc23)cc2ccccc12
InChIInChI=1S/C48H30O2/c49-47-41(43-35-19-7-1-13-29(35)25-30-14-2-8-20-36(30)43)27-33-17-5-11-23-39(33)45(47)46-40-24-12-6-18-34(40)28-42(48(46)50)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-28,49-50H
InChIKeyXJKZPSCYLJRHEN-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.02
Rot. Bonds3

About 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 10304836) has the molecular formula C48H30O2 and a molecular weight of 638.77 g/mol. Its IUPAC name is 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID10304836
Molecular FormulaC48H30O2
Molecular Weight638.77 g/mol
Exact Mass638.22
IUPAC Name3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1c(-c2c3ccccc3cc3ccccc23)cc2ccccc2c1-c1c(O)c(-c2c3ccccc3cc3ccccc23)cc2ccccc12
InChIInChI=1S/C48H30O2/c49-47-41(43-35-19-7-1-13-29(35)25-30-14-2-8-20-36(30)43)27-33-17-5-11-23-39(33)45(47)46-40-24-12-6-18-34(40)28-42(48(46)50)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-28,49-50H
InChIKeyXJKZPSCYLJRHEN-UHFFFAOYSA-N
XLogP13.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 10304836) is 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1c(-c2c3ccccc3cc3ccccc23)cc2ccccc2c1-c1c(O)c(-c2c3ccccc3cc3ccccc23)cc2ccccc12.
What is the InChIKey of 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is XJKZPSCYLJRHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O2/c49-47-41(43-35-19-7-1-13-29(35)25-30-14-2-8-20-36(30)43)27-33-17-5-11-23-39(33)45(47)46-40-24-12-6-18-34(40)28-42(48(46)50)44-37-21-9-3-15-31(37)26-32-16-4-10-22-38(32)44/h1-28,49-50H.
What are the key properties of 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 638.77 g/mol, XLogP of 13.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anthracen-9-yl-1-(3-anthracen-9-yl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 10304836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).