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

C58H54N2 — CID 129310734

IUPAC2-[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
SMILESCC1CC(C2C=CCC(C)C2C)=CC(c2ccc3c(-c4ccc(-c5ccccn5)cc4)c4ccccc4c(C4=CC=C(C5=NC=CCC5)CC4)c3c2)=CC1c1ccccc1
InChIInChI=1S/C58H54N2/c1-38-14-13-19-49(40(38)3)48-34-39(2)53(41-15-5-4-6-16-41)37-47(35-48)46-30-31-52-54(36-46)58(45-28-24-43(25-29-45)56-21-10-12-33-60-56)51-18-8-7-17-50(51)57(52)44-26-22-42(23-27-44)55-20-9-11-32-59-55/h4-9,11-13,15-20,22-24,26-28,30-33,35-40,49,53H,10,14,21,25,29,34H2,1-3H3
InChIKeyATNFQCRARPLWLZ-UHFFFAOYSA-N
MW779.08 g/mol
LogP15.56
Rot. Bonds7

About 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

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 (PubChem CID 129310734) has the molecular formula C58H54N2 and a molecular weight of 779.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID129310734
Molecular FormulaC58H54N2
Molecular Weight779.08 g/mol
Exact Mass778.43
IUPAC Name2-[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
SMILESCC1CC(C2C=CCC(C)C2C)=CC(c2ccc3c(-c4ccc(-c5ccccn5)cc4)c4ccccc4c(C4=CC=C(C5=NC=CCC5)CC4)c3c2)=CC1c1ccccc1
InChIInChI=1S/C58H54N2/c1-38-14-13-19-49(40(38)3)48-34-39(2)53(41-15-5-4-6-16-41)37-47(35-48)46-30-31-52-54(36-46)58(45-28-24-43(25-29-45)56-21-10-12-33-60-56)51-18-8-7-17-50(51)57(52)44-26-22-42(23-27-44)55-20-9-11-32-59-55/h4-9,11-13,15-20,22-24,26-28,30-33,35-40,49,53H,10,14,21,25,29,34H2,1-3H3
InChIKeyATNFQCRARPLWLZ-UHFFFAOYSA-N
XLogP15.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.08
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-[3-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(5-pyridin-2-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]phenyl]pyridine
CID 167282117
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-[4-[6-(5-cyclohexa-2,4-dien-1-yl-3-phenylcyclohexa-1,3-dien-1-yl)-3-methyl-10-(4-pyridin-2-ylphenyl)-2,3-dihydroanthracen-9-yl]phenyl]pyridine
CID 167210778
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
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
9,10-bis(4-pyridin-2-ylphenyl)anthracen-2-ol
CID 153103344
2-[4-[7-(3,5-diphenylphenyl)-10-[4-(6-methylidenecyclohexa-1,3-dien-1-yl)cyclohexen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,3-dien-1-yl]-3,4-dihydropyridine
CID 167282121
2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
CID 129305562
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
2-[3-(3-methyl-5-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166797282
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC(C2C=CCC(C)C2C)=CC(c2ccc3c(-c4ccc(-c5ccccn5)cc4)c4ccccc4c(C4=CC=C(C5=NC=CCC5)CC4)c3c2)=CC1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is ATNFQCRARPLWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2/c1-38-14-13-19-49(40(38)3)48-34-39(2)53(41-15-5-4-6-16-41)37-47(35-48)46-30-31-52-54(36-46)58(45-28-24-43(25-29-45)56-21-10-12-33-60-56)51-18-8-7-17-50(51)57(52)44-26-22-42(23-27-44)55-20-9-11-32-59-55/h4-9,11-13,15-20,22-24,26-28,30-33,35-40,49,53H,10,14,21,25,29,34H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 779.08 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129310734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).