1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine

C34H27F2N3 — CID 151824197

IUPAC1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine
SMILESFC1(F)CC=C(c2ccc(-c3ccc4c(n3)CCN(Cc3ccccc3)C4)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C34H27F2N3/c35-34(36)18-16-28(29-20-26-8-4-5-9-30(26)38-33(29)34)24-10-12-25(13-11-24)31-15-14-27-22-39(19-17-32(27)37-31)21-23-6-2-1-3-7-23/h1-16,20H,17-19,21-22H2
InChIKeySDGKZDZHMWVQGO-UHFFFAOYSA-N
MW515.61 g/mol
LogP7.78
Rot. Bonds4

About 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine

1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine (PubChem CID 151824197) has the molecular formula C34H27F2N3 and a molecular weight of 515.61 g/mol. Its IUPAC name is 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine.

Molecular Properties

Compound Name1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine
PubChem CID151824197
Molecular FormulaC34H27F2N3
Molecular Weight515.61 g/mol
Exact Mass515.22
IUPAC Name1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine
SMILESFC1(F)CC=C(c2ccc(-c3ccc4c(n3)CCN(Cc3ccccc3)C4)cc2)c2cc3ccccc3nc21
InChIInChI=1S/C34H27F2N3/c35-34(36)18-16-28(29-20-26-8-4-5-9-30(26)38-33(29)34)24-10-12-25(13-11-24)31-15-14-27-22-39(19-17-32(27)37-31)21-23-6-2-1-3-7-23/h1-16,20H,17-19,21-22H2
InChIKeySDGKZDZHMWVQGO-UHFFFAOYSA-N
XLogP7.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine?
The IUPAC name of 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine (CID 151824197) is 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine.
What is the SMILES notation for 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine?
The canonical SMILES for 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine is FC1(F)CC=C(c2ccc(-c3ccc4c(n3)CCN(Cc3ccccc3)C4)cc2)c2cc3ccccc3nc21.
What is the InChIKey of 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine?
The InChIKey is SDGKZDZHMWVQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F2N3/c35-34(36)18-16-28(29-20-26-8-4-5-9-30(26)38-33(29)34)24-10-12-25(13-11-24)31-15-14-27-22-39(19-17-32(27)37-31)21-23-6-2-1-3-7-23/h1-16,20H,17-19,21-22H2.
What are the key properties of 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine?
1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine has a molecular weight of 515.61 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]-4,4-difluoro-3H-acridine is sourced from PubChem (CID 151824197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).