2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine

C43H28N4O — CID 90362424

IUPAC2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
SMILESCOc1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5ncncn5)nc4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C43H28N4O/c1-48-35-16-18-37-39(23-35)42(33-13-11-28-7-3-5-9-30(28)21-33)36-17-14-31(34-15-19-40(45-24-34)43-46-25-44-26-47-43)22-38(36)41(37)32-12-10-27-6-2-4-8-29(27)20-32/h2-26H,1H3
InChIKeyYRVMSJBFNPKHJG-UHFFFAOYSA-N
MW616.72 g/mol
LogP10.56
Rot. Bonds5

About 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine

2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine (PubChem CID 90362424) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
PubChem CID90362424
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
SMILESCOc1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5ncncn5)nc4)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C43H28N4O/c1-48-35-16-18-37-39(23-35)42(33-13-11-28-7-3-5-9-30(28)21-33)36-17-14-31(34-15-19-40(45-24-34)43-46-25-44-26-47-43)22-38(36)41(37)32-12-10-27-6-2-4-8-29(27)20-32/h2-26H,1H3
InChIKeyYRVMSJBFNPKHJG-UHFFFAOYSA-N
XLogP10.56
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine
CID 90361387
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-[10-(9,10-dinaphthalen-2-ylanthracen-2-yl)anthracen-9-yl]pyrimidine
CID 88897339
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-methyl-5-[4-[10-[4-(6-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642449
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidine
CID 90361727
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine
CID 90361613
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
CID 59002245

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine (CID 90362424) is 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine is COc1ccc2c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5ncncn5)nc4)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine?
The InChIKey is YRVMSJBFNPKHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-48-35-16-18-37-39(23-35)42(33-13-11-28-7-3-5-9-30(28)21-33)36-17-14-31(34-15-19-40(45-24-34)43-46-25-44-26-47-43)22-38(36)41(37)32-12-10-27-6-2-4-8-29(27)20-32/h2-26H,1H3.
What are the key properties of 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine?
2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine has a molecular weight of 616.72 g/mol, XLogP of 10.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methoxy-9,10-dinaphthalen-2-ylanthracen-2-yl)-2-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 90362424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).