4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine

C29H18BrN3 — CID 23088516

IUPAC4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine
SMILESBrc1c2ccccc2c(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C29H18BrN3/c30-28-22-14-6-4-12-20(22)27(21-13-5-7-15-23(21)28)26-18-25(24-16-8-9-17-31-24)32-29(33-26)19-10-2-1-3-11-19/h1-18H
InChIKeyGCIDSSRVVDQIGR-UHFFFAOYSA-N
MW488.39 g/mol
LogP7.94
Rot. Bonds3

About 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine

4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine (PubChem CID 23088516) has the molecular formula C29H18BrN3 and a molecular weight of 488.39 g/mol. Its IUPAC name is 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine
PubChem CID23088516
Molecular FormulaC29H18BrN3
Molecular Weight488.39 g/mol
Exact Mass487.07
IUPAC Name4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine
SMILESBrc1c2ccccc2c(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C29H18BrN3/c30-28-22-14-6-4-12-20(22)27(21-13-5-7-15-23(21)28)26-18-25(24-16-8-9-17-31-24)32-29(33-26)19-10-2-1-3-11-19/h1-18H
InChIKeyGCIDSSRVVDQIGR-UHFFFAOYSA-N
XLogP7.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 57.94
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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Frequently Asked Questions

What is the IUPAC name of 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine (CID 23088516) is 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine is Brc1c2ccccc2c(-c2cc(-c3ccccn3)nc(-c3ccccc3)n2)c2ccccc12.
What is the InChIKey of 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine?
The InChIKey is GCIDSSRVVDQIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrN3/c30-28-22-14-6-4-12-20(22)27(21-13-5-7-15-23(21)28)26-18-25(24-16-8-9-17-31-24)32-29(33-26)19-10-2-1-3-11-19/h1-18H.
What are the key properties of 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine?
4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine has a molecular weight of 488.39 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromoanthracen-9-yl)-2-phenyl-6-pyridin-2-ylpyrimidine is sourced from PubChem (CID 23088516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).