2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine

C36H24N2 — CID 90361660

IUPAC2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5ncccn5)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H24N2/c1-3-10-25(11-4-1)29-20-21-32-33(24-29)35(26-12-5-2-6-13-26)31-15-8-7-14-30(31)34(32)27-16-18-28(19-17-27)36-37-22-9-23-38-36/h1-24H
InChIKeyMVSOSWZICBRINN-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.45
Rot. Bonds4

About 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine

2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine (PubChem CID 90361660) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
PubChem CID90361660
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc3c(-c4ccc(-c5ncccn5)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C36H24N2/c1-3-10-25(11-4-1)29-20-21-32-33(24-29)35(26-12-5-2-6-13-26)31-15-8-7-14-30(31)34(32)27-16-18-28(19-17-27)36-37-22-9-23-38-36/h1-24H
InChIKeyMVSOSWZICBRINN-UHFFFAOYSA-N
XLogP9.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-diphenyl-10-(4-triphenylen-2-ylphenyl)anthracen-9-yl]pyrimidine
CID 88868953
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
5-phenyl-2-[10-(5-phenylpyrimidin-2-yl)-2-pyrimidin-2-ylanthracen-9-yl]pyrimidine
CID 90361753
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
3-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylpyridine
CID 90361636
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine?
The IUPAC name of 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine (CID 90361660) is 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine?
The canonical SMILES for 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine is c1ccc(-c2ccc3c(-c4ccc(-c5ncccn5)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine?
The InChIKey is MVSOSWZICBRINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-10-25(11-4-1)29-20-21-32-33(24-29)35(26-12-5-2-6-13-26)31-15-8-7-14-30(31)34(32)27-16-18-28(19-17-27)36-37-22-9-23-38-36/h1-24H.
What are the key properties of 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine?
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine has a molecular weight of 484.60 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine is sourced from PubChem (CID 90361660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).