3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine

C30H18F2N2 — CID 145125750

IUPAC3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine
SMILESFc1cccc2cccc(-c3cnccc3-c3ccncc3-c3cccc4cccc(F)c34)c12
InChIInChI=1S/C30H18F2N2/c31-27-11-3-7-19-5-1-9-23(29(19)27)25-17-33-15-13-21(25)22-14-16-34-18-26(22)24-10-2-6-20-8-4-12-28(32)30(20)24/h1-18H
InChIKeyVCYZIDLGMNMSHO-UHFFFAOYSA-N
MW444.48 g/mol
LogP8.06
Rot. Bonds3

About 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine

3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine (PubChem CID 145125750) has the molecular formula C30H18F2N2 and a molecular weight of 444.48 g/mol. Its IUPAC name is 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine.

Molecular Properties

Compound Name3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine
PubChem CID145125750
Molecular FormulaC30H18F2N2
Molecular Weight444.48 g/mol
Exact Mass444.14
IUPAC Name3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine
SMILESFc1cccc2cccc(-c3cnccc3-c3ccncc3-c3cccc4cccc(F)c34)c12
InChIInChI=1S/C30H18F2N2/c31-27-11-3-7-19-5-1-9-23(29(19)27)25-17-33-15-13-21(25)22-14-16-34-18-26(22)24-10-2-6-20-8-4-12-28(32)30(20)24/h1-18H
InChIKeyVCYZIDLGMNMSHO-UHFFFAOYSA-N
XLogP8.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.48
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine?
The IUPAC name of 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine (CID 145125750) is 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine.
What is the SMILES notation for 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine?
The canonical SMILES for 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine is Fc1cccc2cccc(-c3cnccc3-c3ccncc3-c3cccc4cccc(F)c34)c12.
What is the InChIKey of 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine?
The InChIKey is VCYZIDLGMNMSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18F2N2/c31-27-11-3-7-19-5-1-9-23(29(19)27)25-17-33-15-13-21(25)22-14-16-34-18-26(22)24-10-2-6-20-8-4-12-28(32)30(20)24/h1-18H.
What are the key properties of 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine?
3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine has a molecular weight of 444.48 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-fluoronaphthalen-1-yl)-4-[3-(8-fluoronaphthalen-1-yl)-4-pyridinyl]pyridine is sourced from PubChem (CID 145125750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).