2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol

C24H17NO — CID 19431267

IUPAC2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol
SMILESOc1c(-c2ccc(-c3ccc4ccccc4c3)[nH]2)ccc2ccccc12
InChIInChI=1S/C24H17NO/c26-24-20-8-4-3-6-17(20)11-12-21(24)23-14-13-22(25-23)19-10-9-16-5-1-2-7-18(16)15-19/h1-15,25-26H
InChIKeyALNCLMFHOIPITR-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.36
Rot. Bonds2

About 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol

2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol (PubChem CID 19431267) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol
PubChem CID19431267
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol
SMILESOc1c(-c2ccc(-c3ccc4ccccc4c3)[nH]2)ccc2ccccc12
InChIInChI=1S/C24H17NO/c26-24-20-8-4-3-6-17(20)11-12-21(24)23-14-13-22(25-23)19-10-9-16-5-1-2-7-18(16)15-19/h1-15,25-26H
InChIKeyALNCLMFHOIPITR-UHFFFAOYSA-N
XLogP6.36
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol?
The IUPAC name of 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol (CID 19431267) is 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol?
The canonical SMILES for 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol is Oc1c(-c2ccc(-c3ccc4ccccc4c3)[nH]2)ccc2ccccc12.
What is the InChIKey of 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol?
The InChIKey is ALNCLMFHOIPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c26-24-20-8-4-3-6-17(20)11-12-21(24)23-14-13-22(25-23)19-10-9-16-5-1-2-7-18(16)15-19/h1-15,25-26H.
What are the key properties of 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol?
2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol has a molecular weight of 335.41 g/mol, XLogP of 6.36, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-2-yl-1H-pyrrol-2-yl)naphthalen-1-ol is sourced from PubChem (CID 19431267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).