7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine

C23H13N7 — CID 59183201

IUPAC7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine
SMILESc1ccc2c(c1)ncc1c(-c3ncncn3)c3ccccc3c(-c3ncncn3)c12
InChIInChI=1S/C23H13N7/c1-2-6-15-14(5-1)20(22-27-10-24-11-28-22)17-9-26-18-8-4-3-7-16(18)19(17)21(15)23-29-12-25-13-30-23/h1-13H
InChIKeyRGEUDDAVTPECIS-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.25
Rot. Bonds2

About 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine

7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine (PubChem CID 59183201) has the molecular formula C23H13N7 and a molecular weight of 387.41 g/mol. Its IUPAC name is 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine.

Molecular Properties

Compound Name7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine
PubChem CID59183201
Molecular FormulaC23H13N7
Molecular Weight387.41 g/mol
Exact Mass387.12
IUPAC Name7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine
SMILESc1ccc2c(c1)ncc1c(-c3ncncn3)c3ccccc3c(-c3ncncn3)c12
InChIInChI=1S/C23H13N7/c1-2-6-15-14(5-1)20(22-27-10-24-11-28-22)17-9-26-18-8-4-3-7-16(18)19(17)21(15)23-29-12-25-13-30-23/h1-13H
InChIKeyRGEUDDAVTPECIS-UHFFFAOYSA-N
XLogP4.25
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine?
The IUPAC name of 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine (CID 59183201) is 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine.
What is the SMILES notation for 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine?
The canonical SMILES for 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine is c1ccc2c(c1)ncc1c(-c3ncncn3)c3ccccc3c(-c3ncncn3)c12.
What is the InChIKey of 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine?
The InChIKey is RGEUDDAVTPECIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N7/c1-2-6-15-14(5-1)20(22-27-10-24-11-28-22)17-9-26-18-8-4-3-7-16(18)19(17)21(15)23-29-12-25-13-30-23/h1-13H.
What are the key properties of 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine?
7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine has a molecular weight of 387.41 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(1,3,5-triazin-2-yl)benzo[j]phenanthridine is sourced from PubChem (CID 59183201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).