2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline

C32H20N2OS — CID 54326698

IUPAC2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
SMILESc1ccc(-c2cc3cccc(-c4ccco4)c3c(-c3ccc4ccccc4n3)c2-c2cccs2)nc1
InChIInChI=1S/C32H20N2OS/c1-2-11-25-21(8-1)15-16-27(34-25)32-30-22(9-5-10-23(30)28-13-6-18-35-28)20-24(26-12-3-4-17-33-26)31(32)29-14-7-19-36-29/h1-20H
InChIKeyCTNRBFAYXWCMCN-UHFFFAOYSA-N
MW480.59 g/mol
LogP9.11
Rot. Bonds4

About 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline

2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline (PubChem CID 54326698) has the molecular formula C32H20N2OS and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline.

Molecular Properties

Compound Name2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
PubChem CID54326698
Molecular FormulaC32H20N2OS
Molecular Weight480.59 g/mol
Exact Mass480.13
IUPAC Name2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
SMILESc1ccc(-c2cc3cccc(-c4ccco4)c3c(-c3ccc4ccccc4n3)c2-c2cccs2)nc1
InChIInChI=1S/C32H20N2OS/c1-2-11-25-21(8-1)15-16-27(34-25)32-30-22(9-5-10-23(30)28-13-6-18-35-28)20-24(26-12-3-4-17-33-26)31(32)29-14-7-19-36-29/h1-20H
InChIKeyCTNRBFAYXWCMCN-UHFFFAOYSA-N
XLogP9.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.59
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline?
The IUPAC name of 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline (CID 54326698) is 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline.
What is the SMILES notation for 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline?
The canonical SMILES for 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline is c1ccc(-c2cc3cccc(-c4ccco4)c3c(-c3ccc4ccccc4n3)c2-c2cccs2)nc1.
What is the InChIKey of 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline?
The InChIKey is CTNRBFAYXWCMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2OS/c1-2-11-25-21(8-1)15-16-27(34-25)32-30-22(9-5-10-23(30)28-13-6-18-35-28)20-24(26-12-3-4-17-33-26)31(32)29-14-7-19-36-29/h1-20H.
What are the key properties of 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline?
2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline has a molecular weight of 480.59 g/mol, XLogP of 9.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline is sourced from PubChem (CID 54326698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).