5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone

C26H25NO — CID 71653252

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3c(c2)CCCC3)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H25NO/c28-26(23-12-10-19-6-2-4-8-21(19)16-23)24-13-14-25(27-17-24)22-11-9-18-5-1-3-7-20(18)15-22/h9-17H,1-8H2
InChIKeyOULQDPFJFXDZNR-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.74
Rot. Bonds3

About 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone

5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone (PubChem CID 71653252) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone
PubChem CID71653252
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-c2ccc3c(c2)CCCC3)nc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C26H25NO/c28-26(23-12-10-19-6-2-4-8-21(19)16-23)24-13-14-25(27-17-24)22-11-9-18-5-1-3-7-20(18)15-22/h9-17H,1-8H2
InChIKeyOULQDPFJFXDZNR-UHFFFAOYSA-N
XLogP5.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone (CID 71653252) is 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone is O=C(c1ccc(-c2ccc3c(c2)CCCC3)nc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone?
The InChIKey is OULQDPFJFXDZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c28-26(23-12-10-19-6-2-4-8-21(19)16-23)24-13-14-25(27-17-24)22-11-9-18-5-1-3-7-20(18)15-22/h9-17H,1-8H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone?
5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone has a molecular weight of 367.49 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 71653252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).