2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine

C41H28N2 — CID 88554648

IUPAC2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine
SMILESCc1cc(-c2cccc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3)n2)ccn1
InChIInChI=1S/C41H28N2/c1-27-24-31(22-23-42-27)39-17-9-16-38(43-39)30-20-18-28-19-21-32(26-33(28)25-30)41-36-14-7-5-12-34(36)40(29-10-3-2-4-11-29)35-13-6-8-15-37(35)41/h2-26H,1H3
InChIKeyPLGMODDRIQNIBC-UHFFFAOYSA-N
MW548.69 g/mol
LogP10.91
Rot. Bonds4

About 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine

2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine (PubChem CID 88554648) has the molecular formula C41H28N2 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine
PubChem CID88554648
Molecular FormulaC41H28N2
Molecular Weight548.69 g/mol
Exact Mass548.23
IUPAC Name2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine
SMILESCc1cc(-c2cccc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3)n2)ccn1
InChIInChI=1S/C41H28N2/c1-27-24-31(22-23-42-27)39-17-9-16-38(43-39)30-20-18-28-19-21-32(26-33(28)25-30)41-36-14-7-5-12-34(36)40(29-10-3-2-4-11-29)35-13-6-8-15-37(35)41/h2-26H,1H3
InChIKeyPLGMODDRIQNIBC-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

2-methyl-4-[5-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridinyl]pyridine
CID 88554596
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361413
2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
CID 58876057
2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
CID 59722048
2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 58894807
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-pyridin-3-ylpyridine
CID 89001174
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-(6-naphthalen-2-yl-2-pyridinyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 143548276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine?
The IUPAC name of 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine (CID 88554648) is 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine.
What is the SMILES notation for 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine?
The canonical SMILES for 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine is Cc1cc(-c2cccc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4c3)n2)ccn1.
What is the InChIKey of 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine?
The InChIKey is PLGMODDRIQNIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2/c1-27-24-31(22-23-42-27)39-17-9-16-38(43-39)30-20-18-28-19-21-32(26-33(28)25-30)41-36-14-7-5-12-34(36)40(29-10-3-2-4-11-29)35-13-6-8-15-37(35)41/h2-26H,1H3.
What are the key properties of 2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine?
2-methyl-4-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-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-[6-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-2-pyridinyl]pyridine is sourced from PubChem (CID 88554648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).