2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine

C55H44N2 — CID 170080038

IUPAC2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine
SMILESCC1(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=Cc2c(c(C3C=C(c4ccccn4)C=CC3)c3ccccc3c2-c2cccc(C3=NC=CCC3)c2)C1
InChIInChI=1S/C55H44N2/c1-55(46-35-44(38-16-4-2-5-17-38)34-45(36-46)39-18-6-3-7-19-39)29-28-49-50(37-55)54(43-23-15-21-41(33-43)52-27-11-13-31-57-52)48-25-9-8-24-47(48)53(49)42-22-14-20-40(32-42)51-26-10-12-30-56-51/h2-9,11-22,24-25,27-36,43H,10,23,26,37H2,1H3
InChIKeyGLYPJLLSHLPTGV-UHFFFAOYSA-N
MW732.97 g/mol
LogP13.99
Rot. Bonds7

About 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine

2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine (PubChem CID 170080038) has the molecular formula C55H44N2 and a molecular weight of 732.97 g/mol. Its IUPAC name is 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine
PubChem CID170080038
Molecular FormulaC55H44N2
Molecular Weight732.97 g/mol
Exact Mass732.35
IUPAC Name2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine
SMILESCC1(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=Cc2c(c(C3C=C(c4ccccn4)C=CC3)c3ccccc3c2-c2cccc(C3=NC=CCC3)c2)C1
InChIInChI=1S/C55H44N2/c1-55(46-35-44(38-16-4-2-5-17-38)34-45(36-46)39-18-6-3-7-19-39)29-28-49-50(37-55)54(43-23-15-21-41(33-43)52-27-11-13-31-57-52)48-25-9-8-24-47(48)53(49)42-22-14-20-40(32-42)51-26-10-12-30-56-51/h2-9,11-22,24-25,27-36,43H,10,23,26,37H2,1H3
InChIKeyGLYPJLLSHLPTGV-UHFFFAOYSA-N
XLogP13.99
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[10-[4-(3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 146232865
2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
CID 129305562
2-[4-[10-[4-(3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-(5,6-dimethylcyclohex-2-en-1-yl)-4-methyl-3-phenylcyclohepta-1,6-dien-1-yl]anthracen-9-yl]phenyl]pyridine
CID 129310734
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
2-[4-[2-(5-cyclohexa-1,3-dien-1-yl-5-methyl-3-phenylcyclohexen-1-yl)-10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 134361159
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
8,8,14,14-tetramethyl-5-phenyl-17-(10-phenyl-3,4-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70886167
2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
CID 170063372
1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole
CID 89218102
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
4-[4-[(9aR)-8-[3-(3,4-dihydropyridin-2-yl)phenyl]-9,9a-dihydro-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-9b-methyl-8-(3-pyridin-2-ylphenyl)-4aH-[1]benzofuro[3,2-b]pyridine
CID 146805169
2,4-diphenyl-6-[3-(10-pyridin-2-yl-2,3-dihydroanthracen-9-yl)phenyl]-1,3,5-triazine
CID 166888312

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine?
The IUPAC name of 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine (CID 170080038) is 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine.
What is the SMILES notation for 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine?
The canonical SMILES for 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine is CC1(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)C=Cc2c(c(C3C=C(c4ccccn4)C=CC3)c3ccccc3c2-c2cccc(C3=NC=CCC3)c2)C1.
What is the InChIKey of 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine?
The InChIKey is GLYPJLLSHLPTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H44N2/c1-55(46-35-44(38-16-4-2-5-17-38)34-45(36-46)39-18-6-3-7-19-39)29-28-49-50(37-55)54(43-23-15-21-41(33-43)52-27-11-13-31-57-52)48-25-9-8-24-47(48)53(49)42-22-14-20-40(32-42)51-26-10-12-30-56-51/h2-9,11-22,24-25,27-36,43H,10,23,26,37H2,1H3.
What are the key properties of 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine?
2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine has a molecular weight of 732.97 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-[3-(3,4-dihydropyridin-2-yl)phenyl]-2-(3,5-diphenylphenyl)-2-methyl-1H-anthracen-9-yl]cyclohexa-1,5-dien-1-yl]pyridine is sourced from PubChem (CID 170080038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).