5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine

C52H32N2 — CID 88897339

IUPAC5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5c6ccccc6c(-c6cncnc6)c6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C52H32N2/c1-3-13-35-27-37(23-21-33(35)11-1)49-41-15-5-8-18-44(41)51(38-24-22-34-12-2-4-14-36(34)28-38)48-29-39(25-26-47(48)49)50-42-16-6-9-19-45(42)52(40-30-53-32-54-31-40)46-20-10-7-17-43(46)50/h1-32H
InChIKeyWOOFRQADRJFWKG-UHFFFAOYSA-N
MW684.84 g/mol
LogP14.06
Rot. Bonds4

About 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine

5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine (PubChem CID 88897339) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine.

Molecular Properties

Compound Name5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
PubChem CID88897339
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5c6ccccc6c(-c6cncnc6)c6ccccc56)ccc34)ccc2c1
InChIInChI=1S/C52H32N2/c1-3-13-35-27-37(23-21-33(35)11-1)49-41-15-5-8-18-44(41)51(38-24-22-34-12-2-4-14-36(34)28-38)48-29-39(25-26-47(48)49)50-42-16-6-9-19-45(42)52(40-30-53-32-54-31-40)46-20-10-7-17-43(46)50/h1-32H
InChIKeyWOOFRQADRJFWKG-UHFFFAOYSA-N
XLogP14.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 514.06
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

9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine
CID 90361613
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
3-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]pyridine
CID 58963342
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922

Frequently Asked Questions

What is the IUPAC name of 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine?
The IUPAC name of 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine (CID 88897339) is 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine.
What is the SMILES notation for 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine?
The canonical SMILES for 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5c6ccccc6c(-c6cncnc6)c6ccccc56)ccc34)ccc2c1.
What is the InChIKey of 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine?
The InChIKey is WOOFRQADRJFWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-13-35-27-37(23-21-33(35)11-1)49-41-15-5-8-18-44(41)51(38-24-22-34-12-2-4-14-36(34)28-38)48-29-39(25-26-47(48)49)50-42-16-6-9-19-45(42)52(40-30-53-32-54-31-40)46-20-10-7-17-43(46)50/h1-32H.
What are the key properties of 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine?
5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine has a molecular weight of 684.84 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine is sourced from PubChem (CID 88897339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).