4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine

C35H23N3 — CID 157079561

IUPAC4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5cc6ccccc6cc5c4)nc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C35H23N3/c1-2-6-24(7-3-1)25-10-12-26(13-11-25)33-23-34(38-35(37-33)27-16-18-36-19-17-27)31-15-14-30-20-28-8-4-5-9-29(28)21-32(30)22-31/h1-23H
InChIKeyTUVLRLXDYITISC-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.85
Rot. Bonds4

About 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine

4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine (PubChem CID 157079561) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
PubChem CID157079561
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5cc6ccccc6cc5c4)nc(-c4ccncc4)n3)cc2)cc1
InChIInChI=1S/C35H23N3/c1-2-6-24(7-3-1)25-10-12-26(13-11-25)33-23-34(38-35(37-33)27-16-18-36-19-17-27)31-15-14-30-20-28-8-4-5-9-29(28)21-32(30)22-31/h1-23H
InChIKeyTUVLRLXDYITISC-UHFFFAOYSA-N
XLogP8.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
CID 118582461
4-(4-bromophenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 158306088
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2,4-bis[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-naphthalen-2-ylpyrimidine
CID 70936394
4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 118133256
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 118314002
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
6-(2-anthracen-2-yl-6-isoquinolin-6-ylpyrimidin-4-yl)isoquinoline
CID 154599114

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine (CID 157079561) is 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc5cc6ccccc6cc5c4)nc(-c4ccncc4)n3)cc2)cc1.
What is the InChIKey of 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
The InChIKey is TUVLRLXDYITISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-6-24(7-3-1)25-10-12-26(13-11-25)33-23-34(38-35(37-33)27-16-18-36-19-17-27)31-15-14-30-20-28-8-4-5-9-29(28)21-32(30)22-31/h1-23H.
What are the key properties of 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine?
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine has a molecular weight of 485.59 g/mol, XLogP of 8.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 157079561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).