1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol

C38H24N2O2 — CID 136729250

IUPAC1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol
SMILESOc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(O)c(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C38H24N2O2/c41-37-29(33-19-17-23-9-3-7-15-31(23)39-33)21-25-11-1-5-13-27(25)35(37)36-28-14-6-2-12-26(28)22-30(38(36)42)34-20-18-24-10-4-8-16-32(24)40-34/h1-22,41-42H
InChIKeyKBFNUFAXLWVLBZ-UHFFFAOYSA-N
MW540.62 g/mol
LogP9.50
Rot. Bonds3

About 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol

1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol (PubChem CID 136729250) has the molecular formula C38H24N2O2 and a molecular weight of 540.62 g/mol. Its IUPAC name is 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol
PubChem CID136729250
Molecular FormulaC38H24N2O2
Molecular Weight540.62 g/mol
Exact Mass540.18
IUPAC Name1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol
SMILESOc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(O)c(-c2ccc3ccccc3n2)cc2ccccc12
InChIInChI=1S/C38H24N2O2/c41-37-29(33-19-17-23-9-3-7-15-31(23)39-33)21-25-11-1-5-13-27(25)35(37)36-28-14-6-2-12-26(28)22-30(38(36)42)34-20-18-24-10-4-8-16-32(24)40-34/h1-22,41-42H
InChIKeyKBFNUFAXLWVLBZ-UHFFFAOYSA-N
XLogP9.50
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 59.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57399446
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol (CID 136729250) is 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol is Oc1c(-c2ccc3ccccc3n2)cc2ccccc2c1-c1c(O)c(-c2ccc3ccccc3n2)cc2ccccc12.
What is the InChIKey of 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol?
The InChIKey is KBFNUFAXLWVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O2/c41-37-29(33-19-17-23-9-3-7-15-31(23)39-33)21-25-11-1-5-13-27(25)35(37)36-28-14-6-2-12-26(28)22-30(38(36)42)34-20-18-24-10-4-8-16-32(24)40-34/h1-22,41-42H.
What are the key properties of 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol?
1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol has a molecular weight of 540.62 g/mol, XLogP of 9.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-quinolin-2-ylnaphthalen-1-yl)-3-quinolin-2-ylnaphthalen-2-ol is sourced from PubChem (CID 136729250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).