4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine

C34H21BrN2 — CID 23088561

IUPAC4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine
SMILESBrc1c2ccccc2c(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C34H21BrN2/c35-33-28-18-8-6-16-26(28)32(27-17-7-9-19-29(27)33)31-21-30(36-34(37-31)23-12-2-1-3-13-23)25-20-10-14-22-11-4-5-15-24(22)25/h1-21H
InChIKeyLAYAEPCHEPPXEQ-UHFFFAOYSA-N
MW537.46 g/mol
LogP9.70
Rot. Bonds3

About 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine

4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine (PubChem CID 23088561) has the molecular formula C34H21BrN2 and a molecular weight of 537.46 g/mol. Its IUPAC name is 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine
PubChem CID23088561
Molecular FormulaC34H21BrN2
Molecular Weight537.46 g/mol
Exact Mass536.09
IUPAC Name4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine
SMILESBrc1c2ccccc2c(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C34H21BrN2/c35-33-28-18-8-6-16-26(28)32(27-17-7-9-19-29(27)33)31-21-30(36-34(37-31)23-12-2-1-3-13-23)25-20-10-14-22-11-4-5-15-24(22)25/h1-21H
InChIKeyLAYAEPCHEPPXEQ-UHFFFAOYSA-N
XLogP9.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.46
LogP ≤ 59.70
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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Frequently Asked Questions

What is the IUPAC name of 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine?
The IUPAC name of 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine (CID 23088561) is 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine?
The canonical SMILES for 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine is Brc1c2ccccc2c(-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)c2ccccc12.
What is the InChIKey of 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine?
The InChIKey is LAYAEPCHEPPXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21BrN2/c35-33-28-18-8-6-16-26(28)32(27-17-7-9-19-29(27)33)31-21-30(36-34(37-31)23-12-2-1-3-13-23)25-20-10-14-22-11-4-5-15-24(22)25/h1-21H.
What are the key properties of 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine?
4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine has a molecular weight of 537.46 g/mol, XLogP of 9.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromoanthracen-9-yl)-6-naphthalen-1-yl-2-phenylpyrimidine is sourced from PubChem (CID 23088561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).