4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine

C34H22N4 — CID 59722147

IUPAC4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
SMILESc1ccc(-c2c3ccc(-c4ccncn4)cc3c(-c3ccccc3)c3ccc(-c4ccncn4)cc23)cc1
InChIInChI=1S/C34H22N4/c1-3-7-23(8-4-1)33-27-13-11-26(32-16-18-36-22-38-32)20-30(27)34(24-9-5-2-6-10-24)28-14-12-25(19-29(28)33)31-15-17-35-21-37-31/h1-22H
InChIKeyOQBWLWQDPTXEER-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.24
Rot. Bonds4

About 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine

4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine (PubChem CID 59722147) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
PubChem CID59722147
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine
SMILESc1ccc(-c2c3ccc(-c4ccncn4)cc3c(-c3ccccc3)c3ccc(-c4ccncn4)cc23)cc1
InChIInChI=1S/C34H22N4/c1-3-7-23(8-4-1)33-27-13-11-26(32-16-18-36-22-38-32)20-30(27)34(24-9-5-2-6-10-24)28-14-12-25(19-29(28)33)31-15-17-35-21-37-31/h1-22H
InChIKeyOQBWLWQDPTXEER-UHFFFAOYSA-N
XLogP8.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
4-(2-phenyl-4-pyridinyl)pyrimidine
CID 58421020
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine?
The IUPAC name of 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine (CID 59722147) is 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine.
What is the SMILES notation for 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine?
The canonical SMILES for 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine is c1ccc(-c2c3ccc(-c4ccncn4)cc3c(-c3ccccc3)c3ccc(-c4ccncn4)cc23)cc1.
What is the InChIKey of 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine?
The InChIKey is OQBWLWQDPTXEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-3-7-23(8-4-1)33-27-13-11-26(32-16-18-36-22-38-32)20-30(27)34(24-9-5-2-6-10-24)28-14-12-25(19-29(28)33)31-15-17-35-21-37-31/h1-22H.
What are the key properties of 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine?
4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine has a molecular weight of 486.58 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-diphenyl-6-pyrimidin-4-ylanthracen-2-yl)pyrimidine is sourced from PubChem (CID 59722147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).