2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine

C41H32N2 — CID 88554341

IUPAC2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(C3=NC(c5ccccn5)=CCC3)=C4)c3ccccc23)cc1
InChIInChI=1S/C41H32N2/c1-27-16-18-28(19-17-27)40-33-9-2-4-11-35(33)41(36-12-5-3-10-34(36)40)32-23-21-29-25-31(22-20-30(29)26-32)37-14-8-15-39(43-37)38-13-6-7-24-42-38/h2-7,9-13,15-19,21,23-26H,8,14,20,22H2,1H3
InChIKeyYZBAAFASZRUPQG-UHFFFAOYSA-N
MW552.72 g/mol
LogP10.64
Rot. Bonds4

About 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine

2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine (PubChem CID 88554341) has the molecular formula C41H32N2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine.

Molecular Properties

Compound Name2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine
PubChem CID88554341
Molecular FormulaC41H32N2
Molecular Weight552.72 g/mol
Exact Mass552.26
IUPAC Name2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(C3=NC(c5ccccn5)=CCC3)=C4)c3ccccc23)cc1
InChIInChI=1S/C41H32N2/c1-27-16-18-28(19-17-27)40-33-9-2-4-11-35(33)41(36-12-5-3-10-34(36)40)32-23-21-29-25-31(22-20-30(29)26-32)37-14-8-15-39(43-37)38-13-6-7-24-42-38/h2-7,9-13,15-19,21,23-26H,8,14,20,22H2,1H3
InChIKeyYZBAAFASZRUPQG-UHFFFAOYSA-N
XLogP10.64
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 510.64
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine?
The IUPAC name of 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine (CID 88554341) is 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine.
What is the SMILES notation for 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine?
The canonical SMILES for 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine is Cc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(C3=NC(c5ccccn5)=CCC3)=C4)c3ccccc23)cc1.
What is the InChIKey of 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine?
The InChIKey is YZBAAFASZRUPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N2/c1-27-16-18-28(19-17-27)40-33-9-2-4-11-35(33)41(36-12-5-3-10-34(36)40)32-23-21-29-25-31(22-20-30(29)26-32)37-14-8-15-39(43-37)38-13-6-7-24-42-38/h2-7,9-13,15-19,21,23-26H,8,14,20,22H2,1H3.
What are the key properties of 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine?
2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine has a molecular weight of 552.72 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[10-(4-methylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-3,4-dihydropyridin-6-yl]pyridine is sourced from PubChem (CID 88554341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).