5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine

C39H26N2 — CID 90361613

IUPAC5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine
SMILESCc1ncncc1-c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C39H26N2/c1-25-37(23-40-24-41-25)30-18-19-35-36(22-30)39(32-17-15-27-9-3-5-11-29(27)21-32)34-13-7-6-12-33(34)38(35)31-16-14-26-8-2-4-10-28(26)20-31/h2-24H,1H3
InChIKeyLMZXTLHWCIEGLT-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.40
Rot. Bonds3

About 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine

5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine (PubChem CID 90361613) has the molecular formula C39H26N2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine
PubChem CID90361613
Molecular FormulaC39H26N2
Molecular Weight522.65 g/mol
Exact Mass522.21
IUPAC Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine
SMILESCc1ncncc1-c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C39H26N2/c1-25-37(23-40-24-41-25)30-18-19-35-36(22-30)39(32-17-15-27-9-3-5-11-29(27)21-32)34-13-7-6-12-33(34)38(35)31-16-14-26-8-2-4-10-28(26)20-31/h2-24H,1H3
InChIKeyLMZXTLHWCIEGLT-UHFFFAOYSA-N
XLogP10.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.40
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

5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
CID 88897339
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361392
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361413
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
3-methyl-5-[4-[10-[4-(5-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642404
2-methyl-5-[4-[10-[4-(6-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642449
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
CID 90361387
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine?
The IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine (CID 90361613) is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine.
What is the SMILES notation for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine?
The canonical SMILES for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine is Cc1ncncc1-c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine?
The InChIKey is LMZXTLHWCIEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2/c1-25-37(23-40-24-41-25)30-18-19-35-36(22-30)39(32-17-15-27-9-3-5-11-29(27)21-32)34-13-7-6-12-33(34)38(35)31-16-14-26-8-2-4-10-28(26)20-31/h2-24H,1H3.
What are the key properties of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine?
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine has a molecular weight of 522.65 g/mol, XLogP of 10.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine is sourced from PubChem (CID 90361613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).