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

C56H49N — CID 167282121

IUPAC2-[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
SMILESC=C1CC=CC=C1C1CC=C(c2c3c(c(C4=CC=C(C5=NC=CCC5)CC4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc24)=CCCC=3)CC1
InChIInChI=1S/C56H49N/c1-38-14-8-9-19-49(38)41-23-27-43(28-24-41)55-50-20-10-11-21-51(50)56(44-29-25-42(26-30-44)54-22-12-13-33-57-54)53-37-45(31-32-52(53)55)48-35-46(39-15-4-2-5-16-39)34-47(36-48)40-17-6-3-7-18-40/h2-9,13,15-21,25,27,29,31-37,41H,1,10-12,14,22-24,26,28,30H2
InChIKeyMEEARFCFMMONHQ-UHFFFAOYSA-N
MW736.02 g/mol
LogP13.67
Rot. Bonds7

About 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

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 (PubChem CID 167282121) has the molecular formula C56H49N and a molecular weight of 736.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID167282121
Molecular FormulaC56H49N
Molecular Weight736.02 g/mol
Exact Mass735.39
IUPAC Name2-[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
SMILESC=C1CC=CC=C1C1CC=C(c2c3c(c(C4=CC=C(C5=NC=CCC5)CC4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc24)=CCCC=3)CC1
InChIInChI=1S/C56H49N/c1-38-14-8-9-19-49(38)41-23-27-43(28-24-41)55-50-20-10-11-21-51(50)56(44-29-25-42(26-30-44)54-22-12-13-33-57-54)53-37-45(31-32-52(53)55)48-35-46(39-15-4-2-5-16-39)34-47(36-48)40-17-6-3-7-18-40/h2-9,13,15-21,25,27,29,31-37,41H,1,10-12,14,22-24,26,28,30H2
InChIKeyMEEARFCFMMONHQ-UHFFFAOYSA-N
XLogP13.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.02
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 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
10-cyclohexa-1,3-dien-1-yl-6-[3-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-[10-[10-[2-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-2-[9,10-di(cyclohexa-1,3-dien-1-yl)-2,3-dihydroanthracen-2-yl]-9-phenyl-2,3-dihydroanthracene
CID 123479089
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
6-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-13-(4-phenylphenyl)pentacene
CID 164763728
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766421
2-[4-[10-(3,5-diphenylphenyl)-9-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylcyclohexa-1,5-dien-1-yl]-6,7-dihydroanthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 166842311
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 149340747
9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1CC=CC=C1C1CC=C(c2c3c(c(C4=CC=C(C5=NC=CCC5)CC4)c4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)ccc24)=CCCC=3)CC1.
What is the InChIKey of 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?
The InChIKey is MEEARFCFMMONHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N/c1-38-14-8-9-19-49(38)41-23-27-43(28-24-41)55-50-20-10-11-21-51(50)56(44-29-25-42(26-30-44)54-22-12-13-33-57-54)53-37-45(31-32-52(53)55)48-35-46(39-15-4-2-5-16-39)34-47(36-48)40-17-6-3-7-18-40/h2-9,13,15-21,25,27,29,31-37,41H,1,10-12,14,22-24,26,28,30H2.
What are the key properties of 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?
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 has a molecular weight of 736.02 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167282121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).