5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine

C47H29N5 — CID 129201388

IUPAC5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4nc5ccccc5c5ccncc45)c3)n2)cc1
InChIInChI=1S/C47H29N5/c1-3-13-30(14-4-1)45-50-46(31-15-5-2-6-16-31)52-47(51-45)36-27-34(43-37-19-9-7-17-32(37)25-33-18-8-10-20-38(33)43)26-35(28-36)44-41-29-48-24-23-39(41)40-21-11-12-22-42(40)49-44/h1-29H
InChIKeyBPZLSAREHWDTNR-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.61
Rot. Bonds5

About 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine

5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine (PubChem CID 129201388) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine
PubChem CID129201388
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4nc5ccccc5c5ccncc45)c3)n2)cc1
InChIInChI=1S/C47H29N5/c1-3-13-30(14-4-1)45-50-46(31-15-5-2-6-16-31)52-47(51-45)36-27-34(43-37-19-9-7-17-32(37)25-33-18-8-10-20-38(33)43)26-35(28-36)44-41-29-48-24-23-39(41)40-21-11-12-22-42(40)49-44/h1-29H
InChIKeyBPZLSAREHWDTNR-UHFFFAOYSA-N
XLogP11.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-naphthalen-1-ylphenyl)phenyl]benzo[c][2,7]naphthyridine
CID 129201394
5-[4-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[c][2,7]naphthyridine
CID 129201295
5-[3-(11,11-dimethylbenzo[a]fluoren-7-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine
CID 129201316
5-[4-[3-(9,9-dimethylfluoren-4-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[c][2,7]naphthyridine
CID 129201332
5-[5-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-triphenylen-1-ylphenyl]naphthalen-1-yl]benzo[c][2,7]naphthyridine
CID 129201077
6-[3-[4-(3-phenanthridin-6-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine
CID 129265621
7-[4-[3,5-di(anthracen-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466132
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-triphenylen-1-ylphenyl]phenyl]pyrido[4,3-c][1,5]naphthyridine
CID 129201172
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
6-[6-[3-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176818932
2-[3-anthracen-9-yl-5-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118895278

Frequently Asked Questions

What is the IUPAC name of 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine?
The IUPAC name of 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine (CID 129201388) is 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine.
What is the SMILES notation for 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine?
The canonical SMILES for 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4c5ccccc5cc5ccccc45)cc(-c4nc5ccccc5c5ccncc45)c3)n2)cc1.
What is the InChIKey of 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine?
The InChIKey is BPZLSAREHWDTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-13-30(14-4-1)45-50-46(31-15-5-2-6-16-31)52-47(51-45)36-27-34(43-37-19-9-7-17-32(37)25-33-18-8-10-20-38(33)43)26-35(28-36)44-41-29-48-24-23-39(41)40-21-11-12-22-42(40)49-44/h1-29H.
What are the key properties of 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine?
5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine has a molecular weight of 663.78 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-anthracen-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[c][2,7]naphthyridine is sourced from PubChem (CID 129201388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).