2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine

C40H28N4 — CID 167110101

IUPAC2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine
SMILESC1=CCNC(c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)nc4)c4cc(-c5ccccc5)ccc34)cn2)=C1
InChIInChI=1S/C40H28N4/c1-2-10-27(11-3-1)28-16-19-33-34(24-28)40(30-18-21-38(44-26-30)36-15-7-9-23-42-36)32-13-5-4-12-31(32)39(33)29-17-20-37(43-25-29)35-14-6-8-22-41-35/h1-21,23-26,41H,22H2
InChIKeyPXMGOLVBVJWPAB-UHFFFAOYSA-N
MW564.69 g/mol
LogP9.35
Rot. Bonds5

About 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine

2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine (PubChem CID 167110101) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine
PubChem CID167110101
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine
SMILESC1=CCNC(c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)nc4)c4cc(-c5ccccc5)ccc34)cn2)=C1
InChIInChI=1S/C40H28N4/c1-2-10-27(11-3-1)28-16-19-33-34(24-28)40(30-18-21-38(44-26-30)36-15-7-9-23-42-36)32-13-5-4-12-31(32)39(33)29-17-20-37(43-25-29)35-14-6-8-22-41-35/h1-21,23-26,41H,22H2
InChIKeyPXMGOLVBVJWPAB-UHFFFAOYSA-N
XLogP9.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[6,10-bis(6-pyridin-2-yl-3-pyridinyl)triphenylen-2-yl]-2-(1,2-dihydropyridin-6-yl)pyridine
CID 130312510
2-[3-(1,2-dihydropyridin-6-yl)-5-triphenylen-2-ylphenyl]pyridine
CID 146359971
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
2-[11-(1,2-dihydropyridin-6-yl)-18,24-diphenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-5-yl]pyridine
CID 118860842
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
7-[4-[4-[3-(1,2-dihydropyridin-6-yl)-5-pyridin-2-ylphenyl]phenyl]phenyl]benzo[b][1,10]phenanthroline
CID 134559457
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2,4-diphenyl-6-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 165168236
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 158248176
2-[3-(1,2-dihydropyridin-6-yl)-6,8-dipyridin-2-ylpyren-1-yl]pyridine
CID 89294796
3-phenyl-5-(6-pyridin-2-yl-3-pyridinyl)pyridine
CID 59724442

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine?
The IUPAC name of 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine (CID 167110101) is 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine.
What is the SMILES notation for 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine?
The canonical SMILES for 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine is C1=CCNC(c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)nc4)c4cc(-c5ccccc5)ccc34)cn2)=C1.
What is the InChIKey of 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine?
The InChIKey is PXMGOLVBVJWPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-2-10-27(11-3-1)28-16-19-33-34(24-28)40(30-18-21-38(44-26-30)36-15-7-9-23-42-36)32-13-5-4-12-31(32)39(33)29-17-20-37(43-25-29)35-14-6-8-22-41-35/h1-21,23-26,41H,22H2.
What are the key properties of 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine?
2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine has a molecular weight of 564.69 g/mol, XLogP of 9.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-6-yl)-5-[3-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]pyridine is sourced from PubChem (CID 167110101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).