5'-methylspiro[chromene-2,6'-phenanthridine]

C22H17NO — CID 2841259

IUPAC5'-methylspiro[chromene-2,6'-phenanthridine]
SMILESCN1c2ccccc2-c2ccccc2C12C=Cc1ccccc1O2
InChIInChI=1S/C22H17NO/c1-23-20-12-6-4-10-18(20)17-9-3-5-11-19(17)22(23)15-14-16-8-2-7-13-21(16)24-22/h2-15H,1H3
InChIKeyYWHBJNSUVBVIOJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.06
Rot. Bonds

About 5'-methylspiro[chromene-2,6'-phenanthridine]

5'-methylspiro[chromene-2,6'-phenanthridine] (PubChem CID 2841259) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 5'-methylspiro[chromene-2,6'-phenanthridine].

Molecular Properties

Compound Name5'-methylspiro[chromene-2,6'-phenanthridine]
PubChem CID2841259
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name5'-methylspiro[chromene-2,6'-phenanthridine]
SMILESCN1c2ccccc2-c2ccccc2C12C=Cc1ccccc1O2
InChIInChI=1S/C22H17NO/c1-23-20-12-6-4-10-18(20)17-9-3-5-11-19(17)22(23)15-14-16-8-2-7-13-21(16)24-22/h2-15H,1H3
InChIKeyYWHBJNSUVBVIOJ-UHFFFAOYSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5'-methylspiro[chromene-2,6'-phenanthridine]?
The IUPAC name of 5'-methylspiro[chromene-2,6'-phenanthridine] (CID 2841259) is 5'-methylspiro[chromene-2,6'-phenanthridine].
What is the SMILES notation for 5'-methylspiro[chromene-2,6'-phenanthridine]?
The canonical SMILES for 5'-methylspiro[chromene-2,6'-phenanthridine] is CN1c2ccccc2-c2ccccc2C12C=Cc1ccccc1O2.
What is the InChIKey of 5'-methylspiro[chromene-2,6'-phenanthridine]?
The InChIKey is YWHBJNSUVBVIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-23-20-12-6-4-10-18(20)17-9-3-5-11-19(17)22(23)15-14-16-8-2-7-13-21(16)24-22/h2-15H,1H3.
What are the key properties of 5'-methylspiro[chromene-2,6'-phenanthridine]?
5'-methylspiro[chromene-2,6'-phenanthridine] has a molecular weight of 311.38 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylspiro[chromene-2,6'-phenanthridine] is sourced from PubChem (CID 2841259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).