2-phenylphenanthro[9,10-c]pyrrole

C22H15N — CID 150501713

IUPAC2-phenylphenanthro[9,10-c]pyrrole
SMILESc1ccc(-n2cc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C22H15N/c1-2-8-16(9-3-1)23-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22(21)15-23/h1-15H
InChIKeyHXYOAONMAWHSSU-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.94
Rot. Bonds1

About 2-phenylphenanthro[9,10-c]pyrrole

2-phenylphenanthro[9,10-c]pyrrole (PubChem CID 150501713) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-phenylphenanthro[9,10-c]pyrrole.

Molecular Properties

Compound Name2-phenylphenanthro[9,10-c]pyrrole
PubChem CID150501713
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC Name2-phenylphenanthro[9,10-c]pyrrole
SMILESc1ccc(-n2cc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C22H15N/c1-2-8-16(9-3-1)23-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22(21)15-23/h1-15H
InChIKeyHXYOAONMAWHSSU-UHFFFAOYSA-N
XLogP5.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.94
H-Bond Donors ≤ 50
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-phenylphenanthro[9,10-c]pyrrole?
The IUPAC name of 2-phenylphenanthro[9,10-c]pyrrole (CID 150501713) is 2-phenylphenanthro[9,10-c]pyrrole.
What is the SMILES notation for 2-phenylphenanthro[9,10-c]pyrrole?
The canonical SMILES for 2-phenylphenanthro[9,10-c]pyrrole is c1ccc(-n2cc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 2-phenylphenanthro[9,10-c]pyrrole?
The InChIKey is HXYOAONMAWHSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c1-2-8-16(9-3-1)23-14-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22(21)15-23/h1-15H.
What are the key properties of 2-phenylphenanthro[9,10-c]pyrrole?
2-phenylphenanthro[9,10-c]pyrrole has a molecular weight of 293.37 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylphenanthro[9,10-c]pyrrole is sourced from PubChem (CID 150501713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).