5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine

C20H17NO — CID 158580057

IUPAC5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine
SMILESCC1(C)c2ccccc2Oc2cnc(-c3ccccc3)cc21
InChIInChI=1S/C20H17NO/c1-20(2)15-10-6-7-11-18(15)22-19-13-21-17(12-16(19)20)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyRJVBHAXNYXOABT-UHFFFAOYSA-N
MW287.36 g/mol
LogP5.18
Rot. Bonds1

About 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine

5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine (PubChem CID 158580057) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine
PubChem CID158580057
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine
SMILESCC1(C)c2ccccc2Oc2cnc(-c3ccccc3)cc21
InChIInChI=1S/C20H17NO/c1-20(2)15-10-6-7-11-18(15)22-19-13-21-17(12-16(19)20)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyRJVBHAXNYXOABT-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-N-[4-[4-(N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
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N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
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3-(3-bromo-5-phenylphenyl)-9,9-dimethylxanthene
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2-[3-(9,9-dimethylxanthen-3-yl)phenyl]-9-phenyl-1,10-phenanthroline
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2-(9,9-dimethylxanthen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
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2-bromo-9,9-dimethyl-3-phenylxanthene
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9,9-dimethylxanthene;phenylphosphane
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CID 166569822
9,9-dimethylxanthene;triphenylphosphane
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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine?
The IUPAC name of 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine (CID 158580057) is 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine.
What is the SMILES notation for 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine?
The canonical SMILES for 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine is CC1(C)c2ccccc2Oc2cnc(-c3ccccc3)cc21.
What is the InChIKey of 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine?
The InChIKey is RJVBHAXNYXOABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-20(2)15-10-6-7-11-18(15)22-19-13-21-17(12-16(19)20)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine?
5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine has a molecular weight of 287.36 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-phenylchromeno[2,3-c]pyridine is sourced from PubChem (CID 158580057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).