4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine

C37H23N3 — CID 157064869

IUPAC4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine
SMILESc1ccc2cc3c(-c4cc(-c5cc6ccccc6c6ccccc56)nc(-c5ccncc5)n4)cccc3cc2c1
InChIInChI=1S/C37H23N3/c1-2-9-26-21-33-27(20-25(26)8-1)11-7-15-32(33)35-23-36(40-37(39-35)24-16-18-38-19-17-24)34-22-28-10-3-4-12-29(28)30-13-5-6-14-31(30)34/h1-23H
InChIKeyARUPUFZRSIJKQK-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.49
Rot. Bonds3

About 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine

4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine (PubChem CID 157064869) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine
PubChem CID157064869
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine
SMILESc1ccc2cc3c(-c4cc(-c5cc6ccccc6c6ccccc56)nc(-c5ccncc5)n4)cccc3cc2c1
InChIInChI=1S/C37H23N3/c1-2-9-26-21-33-27(20-25(26)8-1)11-7-15-32(33)35-23-36(40-37(39-35)24-16-18-38-19-17-24)34-22-28-10-3-4-12-29(28)30-13-5-6-14-31(30)34/h1-23H
InChIKeyARUPUFZRSIJKQK-UHFFFAOYSA-N
XLogP9.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine 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

3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 90261775
2-phenyl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-4-ylphenyl)pyrimidine
CID 118314131
2-[3-(12-phenanthren-9-ylchrysen-6-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 118314030
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
4-[2-(4-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-4-ylpyridine
CID 166685143
2-phenanthren-9-yl-9-pyridin-4-yl-1,10-phenanthroline
CID 145129513
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 176795380
4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
CID 118641062
4-methyl-6-phenanthren-9-yl-2-phenylpyrimidine
CID 146568663
2-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]sulfanylphenyl]-4,6-dinaphthalen-1-ylpyrimidine
CID 140905007
8-[5-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]-2-pyridinyl]quinoline
CID 118372253

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine (CID 157064869) is 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine is c1ccc2cc3c(-c4cc(-c5cc6ccccc6c6ccccc56)nc(-c5ccncc5)n4)cccc3cc2c1.
What is the InChIKey of 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is ARUPUFZRSIJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-2-9-26-21-33-27(20-25(26)8-1)11-7-15-32(33)35-23-36(40-37(39-35)24-16-18-38-19-17-24)34-22-28-10-3-4-12-29(28)30-13-5-6-14-31(30)34/h1-23H.
What are the key properties of 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine?
4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 509.61 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-1-yl-6-phenanthren-9-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 157064869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).