2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine

C56H51N5 — CID 175622031

IUPAC2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine
SMILESC=C1C(C2=CCCC=C2C2=C(c3ccccc3C3=CC(C4=CC=C(c5ccccc5)CC4)N=C(c4ccccc4)N3)NCC=C2)NC(C2=CCCC=C2)=NC1c1ccccc1
InChIInChI=1S/C56H51N5/c1-38-52(42-21-8-3-9-22-42)60-56(44-25-12-5-13-26-44)61-53(38)47-29-16-14-27-45(47)48-31-18-36-57-54(48)49-30-17-15-28-46(49)51-37-50(58-55(59-51)43-23-10-4-11-24-43)41-34-32-40(33-35-41)39-19-6-2-7-20-39/h2-4,6-12,15,17-32,34,37,50,52-53,57H,1,5,13-14,16,33,35-36H2,(H,58,59)(H,60,61)
InChIKeyHGHZORKXHBFCLW-UHFFFAOYSA-N
MW794.06 g/mol
LogP11.71
Rot. Bonds9

About 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine

2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine (PubChem CID 175622031) has the molecular formula C56H51N5 and a molecular weight of 794.06 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine
PubChem CID175622031
Molecular FormulaC56H51N5
Molecular Weight794.06 g/mol
Exact Mass793.41
IUPAC Name2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine
SMILESC=C1C(C2=CCCC=C2C2=C(c3ccccc3C3=CC(C4=CC=C(c5ccccc5)CC4)N=C(c4ccccc4)N3)NCC=C2)NC(C2=CCCC=C2)=NC1c1ccccc1
InChIInChI=1S/C56H51N5/c1-38-52(42-21-8-3-9-22-42)60-56(44-25-12-5-13-26-44)61-53(38)47-29-16-14-27-45(47)48-31-18-36-57-54(48)49-30-17-15-28-46(49)51-37-50(58-55(59-51)43-23-10-4-11-24-43)41-34-32-40(33-35-41)39-19-6-2-7-20-39/h2-4,6-12,15,17-32,34,37,50,52-53,57H,1,5,13-14,16,33,35-36H2,(H,58,59)(H,60,61)
InChIKeyHGHZORKXHBFCLW-UHFFFAOYSA-N
XLogP11.71
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.06
LogP ≤ 511.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine with MolForge

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Related Compounds

4-[3-[6-cyclohexa-1,5-dien-1-yl-2-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]-2-ethyl-1,10-phenanthroline
CID 156555998
4,6-diphenyl-2-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2-yl-1,4-dihydropyrimidine
CID 123394008
[amino-[2-[2-cyclohexa-1,5-dien-1-yl-4-[3-(4-phenyl-4,4a,5,6-tetrahydronaphthalen-1-yl)phenyl]-1,4-dihydropyrimidin-6-yl]phenyl]methyl] 3,5-dimethylbenzenecarboximidothioate
CID 155470452
9-(6-cyclohexa-1,5-dien-1-yl-4-phenyl-1,4-dihydropyrimidin-2-yl)-2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 145303177
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
CID 166903043
CID 166903043
6-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247245
2-cyclohexa-1,5-dien-1-yl-4-[3-fluoranthen-3-yl-5-(4-pyridin-2-ylphenyl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 144775582
6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
2-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-amine
CID 146428635
4-[2-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]-7,8-dihydrodibenzofuran-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146246403
4-[3-dibenzofuran-4-yl-5-(1,2-dihydrodibenzofuran-4-yl)phenyl]-6-(3-dibenzofuran-4-ylphenyl)-2-phenyl-1,4-dihydropyrimidine
CID 130374561

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine (CID 175622031) is 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine is C=C1C(C2=CCCC=C2C2=C(c3ccccc3C3=CC(C4=CC=C(c5ccccc5)CC4)N=C(c4ccccc4)N3)NCC=C2)NC(C2=CCCC=C2)=NC1c1ccccc1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine?
The InChIKey is HGHZORKXHBFCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51N5/c1-38-52(42-21-8-3-9-22-42)60-56(44-25-12-5-13-26-44)61-53(38)47-29-16-14-27-45(47)48-31-18-36-57-54(48)49-30-17-15-28-46(49)51-37-50(58-55(59-51)43-23-10-4-11-24-43)41-34-32-40(33-35-41)39-19-6-2-7-20-39/h2-4,6-12,15,17-32,34,37,50,52-53,57H,1,5,13-14,16,33,35-36H2,(H,58,59)(H,60,61).
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine?
2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine has a molecular weight of 794.06 g/mol, XLogP of 11.71, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-5-methylidene-4-phenyl-6-[6-[6-[2-[2-phenyl-4-(4-phenylcyclohexa-1,3-dien-1-yl)-1,4-dihydropyrimidin-6-yl]phenyl]-1,2-dihydropyridin-5-yl]cyclohexa-1,5-dien-1-yl]-4,6-dihydro-1H-pyrimidine is sourced from PubChem (CID 175622031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).