7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile

C35H19N5 — CID 167064080

IUPAC7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile
SMILESN#Cc1cccc(-c2nc3ccccc3c3c2cc(C#N)c2nc(-c4ccccc4)c(-c4ccccc4)nc23)c1
InChIInChI=1S/C35H19N5/c36-20-22-10-9-15-25(18-22)31-28-19-26(21-37)34-35(30(28)27-16-7-8-17-29(27)38-31)40-33(24-13-5-2-6-14-24)32(39-34)23-11-3-1-4-12-23/h1-19H
InChIKeyLULPRHNNZCWOCE-UHFFFAOYSA-N
MW509.57 g/mol
LogP8.08
Rot. Bonds3

About 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile

7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile (PubChem CID 167064080) has the molecular formula C35H19N5 and a molecular weight of 509.57 g/mol. Its IUPAC name is 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile.

Molecular Properties

Compound Name7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile
PubChem CID167064080
Molecular FormulaC35H19N5
Molecular Weight509.57 g/mol
Exact Mass509.16
IUPAC Name7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile
SMILESN#Cc1cccc(-c2nc3ccccc3c3c2cc(C#N)c2nc(-c4ccccc4)c(-c4ccccc4)nc23)c1
InChIInChI=1S/C35H19N5/c36-20-22-10-9-15-25(18-22)31-28-19-26(21-37)34-35(30(28)27-16-7-8-17-29(27)38-31)40-33(24-13-5-2-6-14-24)32(39-34)23-11-3-1-4-12-23/h1-19H
InChIKeyLULPRHNNZCWOCE-UHFFFAOYSA-N
XLogP8.08
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(4-cyanophenyl)-7-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167064179
2,3-diphenyl-7-[4-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167063941
4-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)benzonitrile
CID 167064325
2,3-bis(4-cyanophenyl)-7-[2-(3,4,5-trifluorophenyl)phenyl]pyrazino[2,3-k]phenanthridine-5-carbonitrile
CID 167063903
5-[4-(11-cyano-2,3-diphenylpyrazino[2,3-i]phenanthridin-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 167064151
3-[3-[10-(4,6-diphenylpyrimidin-2-yl)anthracen-9-yl]quinoxalin-2-yl]benzonitrile
CID 147109877
3-[2-(4-cyanophenyl)-3-(4-isocyanophenyl)-5-phenylpyrazino[2,3-k]phenanthridin-7-yl]benzonitrile;4-[3-(4-isocyanophenyl)-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]-5-phenylpyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 165030114
2,3,5-tris(4-cyanophenyl)pyrazino[2,3-i]phenanthridine-11-carbonitrile
CID 167064013
5-[2-(2,3-diphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]benzene-1,3-dicarbonitrile
CID 164767919
4-[2-(4-cyanophenyl)-7-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrazino[2,3-k]phenanthridin-3-yl]benzonitrile
CID 167064277
4-[5-isocyano-3-(4-isocyanophenyl)-7-phenylpyrazino[2,3-k]phenanthridin-2-yl]benzonitrile
CID 164767765
3-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoxalin-2-yl]phenyl]benzonitrile
CID 146914119

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile?
The IUPAC name of 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile (CID 167064080) is 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile.
What is the SMILES notation for 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile?
The canonical SMILES for 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile is N#Cc1cccc(-c2nc3ccccc3c3c2cc(C#N)c2nc(-c4ccccc4)c(-c4ccccc4)nc23)c1.
What is the InChIKey of 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile?
The InChIKey is LULPRHNNZCWOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N5/c36-20-22-10-9-15-25(18-22)31-28-19-26(21-37)34-35(30(28)27-16-7-8-17-29(27)38-31)40-33(24-13-5-2-6-14-24)32(39-34)23-11-3-1-4-12-23/h1-19H.
What are the key properties of 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile?
7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile has a molecular weight of 509.57 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyanophenyl)-2,3-diphenylpyrazino[2,3-k]phenanthridine-5-carbonitrile is sourced from PubChem (CID 167064080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).