7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline

C38H22N6 — CID 129089080

IUPAC7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c3nccnc3c3ccc(-n4c5ccccc5c5ccccc54)nc3c2n1
InChIInChI=1S/C38H22N6/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)43(29)33-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-33)44-31-15-7-3-11-25(31)26-12-4-8-16-32(26)44/h1-22H
InChIKeyFOFLYBTYRPRCNL-UHFFFAOYSA-N
MW562.64 g/mol
LogP8.92
Rot. Bonds2

About 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline

7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline (PubChem CID 129089080) has the molecular formula C38H22N6 and a molecular weight of 562.64 g/mol. Its IUPAC name is 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
PubChem CID129089080
Molecular FormulaC38H22N6
Molecular Weight562.64 g/mol
Exact Mass562.19
IUPAC Name7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c3nccnc3c3ccc(-n4c5ccccc5c5ccccc54)nc3c2n1
InChIInChI=1S/C38H22N6/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)43(29)33-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-33)44-31-15-7-3-11-25(31)26-12-4-8-16-32(26)44/h1-22H
InChIKeyFOFLYBTYRPRCNL-UHFFFAOYSA-N
XLogP8.92
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline (CID 129089080) is 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline is c1ccc2c(c1)c1ccccc1n2-c1ccc2c3nccnc3c3ccc(-n4c5ccccc5c5ccccc54)nc3c2n1.
What is the InChIKey of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is FOFLYBTYRPRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N6/c1-5-13-29-23(9-1)24-10-2-6-14-30(24)43(29)33-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-33)44-31-15-7-3-11-25(31)26-12-4-8-16-32(26)44/h1-22H.
What are the key properties of 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline?
7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 562.64 g/mol, XLogP of 8.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-di(carbazol-9-yl)pyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 129089080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).