2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile

C37H17N7 — CID 167064013

IUPAC2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile
SMILESN#Cc1ccc(-c2nc3cc(C#N)c4c5ccccc5nc(-c5ccc(C#N)cc5)c4c3nc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C37H17N7/c38-18-22-5-11-25(12-6-22)34-33-32(29-3-1-2-4-30(29)42-34)28(21-41)17-31-37(33)44-36(27-15-9-24(20-40)10-16-27)35(43-31)26-13-7-23(19-39)8-14-26/h1-17H
InChIKeyGNMINJCXHOWQAR-UHFFFAOYSA-N
MW559.59 g/mol
LogP7.82
Rot. Bonds3

About 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile

2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile (PubChem CID 167064013) has the molecular formula C37H17N7 and a molecular weight of 559.59 g/mol. Its IUPAC name is 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile.

Molecular Properties

Compound Name2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile
PubChem CID167064013
Molecular FormulaC37H17N7
Molecular Weight559.59 g/mol
Exact Mass559.15
IUPAC Name2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile
SMILESN#Cc1ccc(-c2nc3cc(C#N)c4c5ccccc5nc(-c5ccc(C#N)cc5)c4c3nc2-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C37H17N7/c38-18-22-5-11-25(12-6-22)34-33-32(29-3-1-2-4-30(29)42-34)28(21-41)17-31-37(33)44-36(27-15-9-24(20-40)10-16-27)35(43-31)26-13-7-23(19-39)8-14-26/h1-17H
InChIKeyGNMINJCXHOWQAR-UHFFFAOYSA-N
XLogP7.82
TPSA133.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.59
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 11980862

Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile?
The IUPAC name of 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile (CID 167064013) is 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile.
What is the SMILES notation for 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile?
The canonical SMILES for 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile is N#Cc1ccc(-c2nc3cc(C#N)c4c5ccccc5nc(-c5ccc(C#N)cc5)c4c3nc2-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile?
The InChIKey is GNMINJCXHOWQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H17N7/c38-18-22-5-11-25(12-6-22)34-33-32(29-3-1-2-4-30(29)42-34)28(21-41)17-31-37(33)44-36(27-15-9-24(20-40)10-16-27)35(43-31)26-13-7-23(19-39)8-14-26/h1-17H.
What are the key properties of 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile?
2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile has a molecular weight of 559.59 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile is sourced from PubChem (CID 167064013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).