1-methylspiro[3H-indole-2,10'-9H-phenanthrene]

C22H19N — CID 10447353

IUPAC1-methylspiro[3H-indole-2,10'-9H-phenanthrene]
SMILESCN1c2ccccc2CC12Cc1ccccc1-c1ccccc12
InChIInChI=1S/C22H19N/c1-23-21-13-7-3-9-17(21)15-22(23)14-16-8-2-4-10-18(16)19-11-5-6-12-20(19)22/h2-13H,14-15H2,1H3
InChIKeyJSAWUEZUDUGJGE-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.80
Rot. Bonds

About 1-methylspiro[3H-indole-2,10'-9H-phenanthrene]

1-methylspiro[3H-indole-2,10'-9H-phenanthrene] (PubChem CID 10447353) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-methylspiro[3H-indole-2,10'-9H-phenanthrene].

Molecular Properties

Compound Name1-methylspiro[3H-indole-2,10'-9H-phenanthrene]
PubChem CID10447353
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name1-methylspiro[3H-indole-2,10'-9H-phenanthrene]
SMILESCN1c2ccccc2CC12Cc1ccccc1-c1ccccc12
InChIInChI=1S/C22H19N/c1-23-21-13-7-3-9-17(21)15-22(23)14-16-8-2-4-10-18(16)19-11-5-6-12-20(19)22/h2-13H,14-15H2,1H3
InChIKeyJSAWUEZUDUGJGE-UHFFFAOYSA-N
XLogP4.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[3H-indole-2,10'-9H-phenanthrene]?
The IUPAC name of 1-methylspiro[3H-indole-2,10'-9H-phenanthrene] (CID 10447353) is 1-methylspiro[3H-indole-2,10'-9H-phenanthrene].
What is the SMILES notation for 1-methylspiro[3H-indole-2,10'-9H-phenanthrene]?
The canonical SMILES for 1-methylspiro[3H-indole-2,10'-9H-phenanthrene] is CN1c2ccccc2CC12Cc1ccccc1-c1ccccc12.
What is the InChIKey of 1-methylspiro[3H-indole-2,10'-9H-phenanthrene]?
The InChIKey is JSAWUEZUDUGJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-23-21-13-7-3-9-17(21)15-22(23)14-16-8-2-4-10-18(16)19-11-5-6-12-20(19)22/h2-13H,14-15H2,1H3.
What are the key properties of 1-methylspiro[3H-indole-2,10'-9H-phenanthrene]?
1-methylspiro[3H-indole-2,10'-9H-phenanthrene] has a molecular weight of 297.40 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[3H-indole-2,10'-9H-phenanthrene] is sourced from PubChem (CID 10447353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).