2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine

C23H18N2 — CID 155623955

IUPAC2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4ccncc4n3)ccc21
InChIInChI=1S/C23H18N2/c1-23(2)19-6-4-3-5-17(19)18-13-16(7-9-20(18)23)21-10-8-15-11-12-24-14-22(15)25-21/h3-14H,1-2H3
InChIKeyRBAFAOPSYGSHCJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.60
Rot. Bonds1

About 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine

2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine (PubChem CID 155623955) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
PubChem CID155623955
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4ccncc4n3)ccc21
InChIInChI=1S/C23H18N2/c1-23(2)19-6-4-3-5-17(19)18-13-16(7-9-20(18)23)21-10-8-15-11-12-24-14-22(15)25-21/h3-14H,1-2H3
InChIKeyRBAFAOPSYGSHCJ-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-5,5-dimethyl-8-quinolin-2-ylindeno[1,2-b]pyridine
CID 59747284
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 66594001
2,9-bis(9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 59297216
2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline
CID 134167303
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146633236
5,5-dimethyl-2-[3-methyl-4-(2-methyl-4-quinolin-2-ylphenyl)phenyl]indeno[1,2-b]pyridine
CID 59747274
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115944
2-[7-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenanthren-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747213
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine (CID 155623955) is 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine is CC1(C)c2ccccc2-c2cc(-c3ccc4ccncc4n3)ccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine?
The InChIKey is RBAFAOPSYGSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-23(2)19-6-4-3-5-17(19)18-13-16(7-9-20(18)23)21-10-8-15-11-12-24-14-22(15)25-21/h3-14H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine?
2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine has a molecular weight of 322.41 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine is sourced from PubChem (CID 155623955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).