2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine

C41H28N2 — CID 88554596

IUPAC2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
SMILESCc1cc(-c2cncc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)c2)ccn1
InChIInChI=1S/C41H28N2/c1-27-21-32(19-20-43-27)35-24-34(25-42-26-35)31-16-15-30-23-33(18-17-29(30)22-31)41-38-13-7-5-11-36(38)40(28-9-3-2-4-10-28)37-12-6-8-14-39(37)41/h2-26H,1H3
InChIKeyMVSOIPDAMIHTBS-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine

2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine (PubChem CID 88554596) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
PubChem CID88554596
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
SMILESCc1cc(-c2cncc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)c2)ccn1
InChIInChI=1S/C41H28N2/c1-27-21-32(19-20-43-27)35-24-34(25-42-26-35)31-16-15-30-23-33(18-17-29(30)22-31)41-38-13-7-5-11-36(38)40(28-9-3-2-4-10-28)37-12-6-8-14-39(37)41/h2-26H,1H3
InChIKeyMVSOIPDAMIHTBS-UHFFFAOYSA-N
XLogP10.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 510.91
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

4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361413
2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine
CID 88554648
3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
CID 88554456
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine-2-carbonitrile
CID 118398135
2-(5-methyl-3-pyridinyl)-5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 88554552
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 89001182
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
3-[3-methyl-4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-5-pyridin-3-ylpyridine
CID 88554356
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine?
The IUPAC name of 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine (CID 88554596) is 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine is Cc1cc(-c2cncc(-c3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3)c2)ccn1.
What is the InChIKey of 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine?
The InChIKey is MVSOIPDAMIHTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-21-32(19-20-43-27)35-24-34(25-42-26-35)31-16-15-30-23-33(18-17-29(30)22-31)41-38-13-7-5-11-36(38)40(28-9-3-2-4-10-28)37-12-6-8-14-39(37)41/h2-26H,1H3.
What are the key properties of 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine?
2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine has a molecular weight of 548.69 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine is sourced from PubChem (CID 88554596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).