2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

C50H54N4 — CID 146646690

IUPAC2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CCC(C2NC(C3=CCC(C4=NC(C5=CCCCC5)CC=C4)C(C4Cc5ccccc5-c5ccccc54)C3)=NC(c3cccc4c3CCCC4)N2)C=C1
InChIInChI=1S/C50H54N4/c1-3-16-34(17-4-1)46-27-14-28-47(51-46)42-30-29-37(32-45(42)44-31-36-20-8-10-23-39(36)40-24-11-12-25-41(40)44)49-52-48(35-18-5-2-6-19-35)53-50(54-49)43-26-13-21-33-15-7-9-22-38(33)43/h2,5-6,8,10-14,16,18,20-21,23-26,28-29,35,42,44-46,48,50,53H,1,3-4,7,9,15,17,19,22,27,30-32H2,(H,52,54)
InChIKeyFFVPNNOASXVANM-UHFFFAOYSA-N
MW711.01 g/mol
LogP10.84
Rot. Bonds6

About 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine

2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 146646690) has the molecular formula C50H54N4 and a molecular weight of 711.01 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID146646690
Molecular FormulaC50H54N4
Molecular Weight711.01 g/mol
Exact Mass710.43
IUPAC Name2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CCC(C2NC(C3=CCC(C4=NC(C5=CCCCC5)CC=C4)C(C4Cc5ccccc5-c5ccccc54)C3)=NC(c3cccc4c3CCCC4)N2)C=C1
InChIInChI=1S/C50H54N4/c1-3-16-34(17-4-1)46-27-14-28-47(51-46)42-30-29-37(32-45(42)44-31-36-20-8-10-23-39(36)40-24-11-12-25-41(40)44)49-52-48(35-18-5-2-6-19-35)53-50(54-49)43-26-13-21-33-15-7-9-22-38(33)43/h2,5-6,8,10-14,16,18,20-21,23-26,28-29,35,42,44-46,48,50,53H,1,3-4,7,9,15,17,19,22,27,30-32H2,(H,52,54)
InChIKeyFFVPNNOASXVANM-UHFFFAOYSA-N
XLogP10.84
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.01
LogP ≤ 510.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine (CID 146646690) is 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is C1=CCC(C2NC(C3=CCC(C4=NC(C5=CCCCC5)CC=C4)C(C4Cc5ccccc5-c5ccccc54)C3)=NC(c3cccc4c3CCCC4)N2)C=C1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is FFVPNNOASXVANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54N4/c1-3-16-34(17-4-1)46-27-14-28-47(51-46)42-30-29-37(32-45(42)44-31-36-20-8-10-23-39(36)40-24-11-12-25-41(40)44)49-52-48(35-18-5-2-6-19-35)53-50(54-49)43-26-13-21-33-15-7-9-22-38(33)43/h2,5-6,8,10-14,16,18,20-21,23-26,28-29,35,42,44-46,48,50,53H,1,3-4,7,9,15,17,19,22,27,30-32H2,(H,52,54).
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine?
2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 711.01 g/mol, XLogP of 10.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-6-[4-[2-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-5-(9,10-dihydrophenanthren-9-yl)cyclohexen-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 146646690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).