4b-methyl-5H-indeno[1,2-b]indole

C16H13N — CID 151328364

IUPAC4b-methyl-5H-indeno[1,2-b]indole
SMILESCC12Nc3ccccc3C1=Cc1ccccc12
InChIInChI=1S/C16H13N/c1-16-13-8-4-2-6-11(13)10-14(16)12-7-3-5-9-15(12)17-16/h2-10,17H,1H3
InChIKeyOHXPBZNQLRLHGN-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.88
Rot. Bonds

About 4b-methyl-5H-indeno[1,2-b]indole

4b-methyl-5H-indeno[1,2-b]indole (PubChem CID 151328364) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 4b-methyl-5H-indeno[1,2-b]indole.

Molecular Properties

Compound Name4b-methyl-5H-indeno[1,2-b]indole
PubChem CID151328364
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name4b-methyl-5H-indeno[1,2-b]indole
SMILESCC12Nc3ccccc3C1=Cc1ccccc12
InChIInChI=1S/C16H13N/c1-16-13-8-4-2-6-11(13)10-14(16)12-7-3-5-9-15(12)17-16/h2-10,17H,1H3
InChIKeyOHXPBZNQLRLHGN-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4b-methyl-5H-indeno[1,2-b]indole?
The IUPAC name of 4b-methyl-5H-indeno[1,2-b]indole (CID 151328364) is 4b-methyl-5H-indeno[1,2-b]indole.
What is the SMILES notation for 4b-methyl-5H-indeno[1,2-b]indole?
The canonical SMILES for 4b-methyl-5H-indeno[1,2-b]indole is CC12Nc3ccccc3C1=Cc1ccccc12.
What is the InChIKey of 4b-methyl-5H-indeno[1,2-b]indole?
The InChIKey is OHXPBZNQLRLHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-16-13-8-4-2-6-11(13)10-14(16)12-7-3-5-9-15(12)17-16/h2-10,17H,1H3.
What are the key properties of 4b-methyl-5H-indeno[1,2-b]indole?
4b-methyl-5H-indeno[1,2-b]indole has a molecular weight of 219.29 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-methyl-5H-indeno[1,2-b]indole is sourced from PubChem (CID 151328364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).