2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine

C50H58N4 — CID 176523054

IUPAC2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESC1=CCC(C2=C(C3C=CCCC3)CCC(C3C=CC=C(C4=NC(C5C=CC(C6C=CC=CC6)CC5)NC(C5=CCC(C6=CCCCC6)C=C5)=N4)C3)=N2)C=C1
InChIInChI=1S/C50H58N4/c1-5-14-35(15-6-1)37-24-28-41(29-25-37)48-52-49(42-30-26-38(27-31-42)36-16-7-2-8-17-36)54-50(53-48)44-23-13-22-43(34-44)46-33-32-45(39-18-9-3-10-19-39)47(51-46)40-20-11-4-12-21-40/h1,4-6,9,11-14,16,18,20,22-24,26,28,30-31,35,37-41,43,48H,2-3,7-8,10,15,17,19,21,25,27,29,32-34H2,(H,52,53,54)
InChIKeyUZDWRQDROXKAEZ-UHFFFAOYSA-N
MW715.04 g/mol
LogP11.91
Rot. Bonds8

About 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine

2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 176523054) has the molecular formula C50H58N4 and a molecular weight of 715.04 g/mol. Its IUPAC name is 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID176523054
Molecular FormulaC50H58N4
Molecular Weight715.04 g/mol
Exact Mass714.47
IUPAC Name2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESC1=CCC(C2=C(C3C=CCCC3)CCC(C3C=CC=C(C4=NC(C5C=CC(C6C=CC=CC6)CC5)NC(C5=CCC(C6=CCCCC6)C=C5)=N4)C3)=N2)C=C1
InChIInChI=1S/C50H58N4/c1-5-14-35(15-6-1)37-24-28-41(29-25-37)48-52-49(42-30-26-38(27-31-42)36-16-7-2-8-17-36)54-50(53-48)44-23-13-22-43(34-44)46-33-32-45(39-18-9-3-10-19-39)47(51-46)40-20-11-4-12-21-40/h1,4-6,9,11-14,16,18,20,22-24,26,28,30-31,35,37-41,43,48H,2-3,7-8,10,15,17,19,21,25,27,29,32-34H2,(H,52,53,54)
InChIKeyUZDWRQDROXKAEZ-UHFFFAOYSA-N
XLogP11.91
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.04
LogP ≤ 511.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine (CID 176523054) is 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine is C1=CCC(C2=C(C3C=CCCC3)CCC(C3C=CC=C(C4=NC(C5C=CC(C6C=CC=CC6)CC5)NC(C5=CCC(C6=CCCCC6)C=C5)=N4)C3)=N2)C=C1.
What is the InChIKey of 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is UZDWRQDROXKAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H58N4/c1-5-14-35(15-6-1)37-24-28-41(29-25-37)48-52-49(42-30-26-38(27-31-42)36-16-7-2-8-17-36)54-50(53-48)44-23-13-22-43(34-44)46-33-32-45(39-18-9-3-10-19-39)47(51-46)40-20-11-4-12-21-40/h1,4-6,9,11-14,16,18,20,22-24,26,28,30-31,35,37-41,43,48H,2-3,7-8,10,15,17,19,21,25,27,29,32-34H2,(H,52,53,54).
What are the key properties of 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine?
2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 715.04 g/mol, XLogP of 11.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-2,4-dien-1-ylcyclohex-2-en-1-yl)-4-[5-(6-cyclohexa-2,4-dien-1-yl-5-cyclohex-2-en-1-yl-3,4-dihydropyridin-2-yl)cyclohexa-1,3-dien-1-yl]-6-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 176523054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).