2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine

C51H33N3 — CID 118314002

IUPAC2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)n2)cc1
InChIInChI=1S/C51H33N3/c1-2-12-37(13-3-1)47-33-48(38-24-21-35(22-25-38)36-27-29-52-30-28-36)54-51(53-47)42-16-10-15-40(32-42)49-43-17-6-8-19-45(43)50(46-20-9-7-18-44(46)49)41-26-23-34-11-4-5-14-39(34)31-41/h1-33H
InChIKeyVODDPNNURSSLJJ-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.33
Rot. Bonds6

About 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine

2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine (PubChem CID 118314002) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID118314002
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)n2)cc1
InChIInChI=1S/C51H33N3/c1-2-12-37(13-3-1)47-33-48(38-24-21-35(22-25-38)36-27-29-52-30-28-36)54-51(53-47)42-16-10-15-40(32-42)49-43-17-6-8-19-45(43)50(46-20-9-7-18-44(46)49)41-26-23-34-11-4-5-14-39(34)31-41/h1-33H
InChIKeyVODDPNNURSSLJJ-UHFFFAOYSA-N
XLogP13.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.33
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

4-phenyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 118314097
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
CID 130231665
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidine;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 159564441
2-naphthalen-2-yl-4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 153301943
4-anthracen-2-yl-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 157079561
2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
CID 118582461
8-[4-[6-naphthalen-2-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 118968771
2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 163413584
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-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine (CID 118314002) is 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3cccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is VODDPNNURSSLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-2-12-37(13-3-1)47-33-48(38-24-21-35(22-25-38)36-27-29-52-30-28-36)54-51(53-47)42-16-10-15-40(32-42)49-43-17-6-8-19-45(43)50(46-20-9-7-18-44(46)49)41-26-23-34-11-4-5-14-39(34)31-41/h1-33H.
What are the key properties of 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 687.85 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 118314002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).