2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline

C48H30N4 — CID 155022949

IUPAC2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline
SMILESc1ccc(-c2cc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)nc6c5)cc4n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N4/c1-3-11-31(12-4-1)46-30-47(52-48(51-46)34-13-5-2-6-14-34)43-26-24-33-20-22-36(29-45(33)50-43)35-21-19-32-23-25-42(49-44(32)28-35)41-27-37-15-7-8-16-38(37)39-17-9-10-18-40(39)41/h1-30H
InChIKeyCRKYUCKIBJTJQL-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.21
Rot. Bonds5

About 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline

2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline (PubChem CID 155022949) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline.

Molecular Properties

Compound Name2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline
PubChem CID155022949
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline
SMILESc1ccc(-c2cc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)nc6c5)cc4n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H30N4/c1-3-11-31(12-4-1)46-30-47(52-48(51-46)34-13-5-2-6-14-34)43-26-24-33-20-22-36(29-45(33)50-43)35-21-19-32-23-25-42(49-44(32)28-35)41-27-37-15-7-8-16-38(37)39-17-9-10-18-40(39)41/h1-30H
InChIKeyCRKYUCKIBJTJQL-UHFFFAOYSA-N
XLogP12.21
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline 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

2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-6-yl)quinoline;2-[4-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164957283
2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 165037983
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(7-phenanthren-9-ylquinolin-2-yl)quinoline;2-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165094254
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline
CID 165009451
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
2-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;2-[6-[2-(1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165036235
5-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenanthren-9-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline;5-[7-(2-phenylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165086971
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
2-[4-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 168797174
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89137298
2-[4-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)phenyl]-4-(3-phenylphenyl)quinazoline
CID 118641260

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline?
The IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline (CID 155022949) is 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline.
What is the SMILES notation for 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline?
The canonical SMILES for 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline is c1ccc(-c2cc(-c3ccc4ccc(-c5ccc6ccc(-c7cc8ccccc8c8ccccc78)nc6c5)cc4n3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline?
The InChIKey is CRKYUCKIBJTJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-11-31(12-4-1)46-30-47(52-48(51-46)34-13-5-2-6-14-34)43-26-24-33-20-22-36(29-45(33)50-43)35-21-19-32-23-25-42(49-44(32)28-35)41-27-37-15-7-8-16-38(37)39-17-9-10-18-40(39)41/h1-30H.
What are the key properties of 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline?
2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline has a molecular weight of 662.80 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenylpyrimidin-4-yl)-7-(2-phenanthren-9-ylquinolin-7-yl)quinoline is sourced from PubChem (CID 155022949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).