2,3-dihydro-1H-phenanthro[9,10-c]pyrrole

C16H13N — CID 21493542

IUPAC2,3-dihydro-1H-phenanthro[9,10-c]pyrrole
SMILESc1ccc2c(c1)c1c(c3ccccc32)CNC1
InChIInChI=1S/C16H13N/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-10-17-9-15(13)16/h1-8,17H,9-10H2
InChIKeyFYKZCQHBLHFHAE-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.60
Rot. Bonds

About 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole

2,3-dihydro-1H-phenanthro[9,10-c]pyrrole (PubChem CID 21493542) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole.

Molecular Properties

Compound Name2,3-dihydro-1H-phenanthro[9,10-c]pyrrole
PubChem CID21493542
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name2,3-dihydro-1H-phenanthro[9,10-c]pyrrole
SMILESc1ccc2c(c1)c1c(c3ccccc32)CNC1
InChIInChI=1S/C16H13N/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-10-17-9-15(13)16/h1-8,17H,9-10H2
InChIKeyFYKZCQHBLHFHAE-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole?
The IUPAC name of 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole (CID 21493542) is 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole.
What is the SMILES notation for 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole?
The canonical SMILES for 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole is c1ccc2c(c1)c1c(c3ccccc32)CNC1.
What is the InChIKey of 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole?
The InChIKey is FYKZCQHBLHFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-10-17-9-15(13)16/h1-8,17H,9-10H2.
What are the key properties of 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole?
2,3-dihydro-1H-phenanthro[9,10-c]pyrrole has a molecular weight of 219.29 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-phenanthro[9,10-c]pyrrole is sourced from PubChem (CID 21493542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).