ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene

C50H61N3 — CID 145452794

IUPACethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene
SMILESC/C=C\C(=C/C)c1ccc(C2N=C(c3ccc(C)cc3)NC(c3ccc(-c4ccccc4)cc3)=N2)cc1.C=C(C)/C=C\C.CC.CC/C=C\C=C(C)C
InChIInChI=1S/C34H31N3.C8H14.C6H10.C2H6/c1-4-9-25(5-2)27-16-20-30(21-17-27)33-35-32(29-14-12-24(3)13-15-29)36-34(37-33)31-22-18-28(19-23-31)26-10-7-6-8-11-26;1-4-5-6-7-8(2)3;1-4-5-6(2)3;1-2/h4-23,33H,1-3H3,(H,35,36,37);5-7H,4H2,1-3H3;4-5H,2H2,1,3H3;1-2H3/b9-4-,25-5+;6-5-;5-4-;
InChIKeyUKVPDGUZMMIFFU-UTZKQHCNSA-N
MW704.06 g/mol
LogP14.22
Rot. Bonds9

About ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene

ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene (PubChem CID 145452794) has the molecular formula C50H61N3 and a molecular weight of 704.06 g/mol. Its IUPAC name is ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Nameethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene
PubChem CID145452794
Molecular FormulaC50H61N3
Molecular Weight704.06 g/mol
Exact Mass703.49
IUPAC Nameethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene
SMILESC/C=C\C(=C/C)c1ccc(C2N=C(c3ccc(C)cc3)NC(c3ccc(-c4ccccc4)cc3)=N2)cc1.C=C(C)/C=C\C.CC.CC/C=C\C=C(C)C
InChIInChI=1S/C34H31N3.C8H14.C6H10.C2H6/c1-4-9-25(5-2)27-16-20-30(21-17-27)33-35-32(29-14-12-24(3)13-15-29)36-34(37-33)31-22-18-28(19-23-31)26-10-7-6-8-11-26;1-4-5-6-7-8(2)3;1-4-5-6(2)3;1-2/h4-23,33H,1-3H3,(H,35,36,37);5-7H,4H2,1-3H3;4-5H,2H2,1,3H3;1-2H3/b9-4-,25-5+;6-5-;5-4-;
InChIKeyUKVPDGUZMMIFFU-UTZKQHCNSA-N
XLogP14.22
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.06
LogP ≤ 514.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene with MolForge

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Related Compounds

(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine
CID 139314463
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
4-[3-[(2E,4Z)-6-(4,6-dimethylpyrimidin-2-yl)hepta-2,4,6-trien-3-yl]phenyl]-2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 130184171
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
ethane;2-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;propane
CID 145452765
N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline
CID 156827248
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 144615998
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methylbenzene;toluene
CID 144914532

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene?
The IUPAC name of ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene (CID 145452794) is ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene.
What is the SMILES notation for ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene?
The canonical SMILES for ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene is C/C=C\C(=C/C)c1ccc(C2N=C(c3ccc(C)cc3)NC(c3ccc(-c4ccccc4)cc3)=N2)cc1.C=C(C)/C=C\C.CC.CC/C=C\C=C(C)C.
What is the InChIKey of ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene?
The InChIKey is UKVPDGUZMMIFFU-UTZKQHCNSA-N. The full InChI is InChI=1S/C34H31N3.C8H14.C6H10.C2H6/c1-4-9-25(5-2)27-16-20-30(21-17-27)33-35-32(29-14-12-24(3)13-15-29)36-34(37-33)31-22-18-28(19-23-31)26-10-7-6-8-11-26;1-4-5-6-7-8(2)3;1-4-5-6(2)3;1-2/h4-23,33H,1-3H3,(H,35,36,37);5-7H,4H2,1-3H3;4-5H,2H2,1,3H3;1-2H3/b9-4-,25-5+;6-5-;5-4-;.
What are the key properties of ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene?
ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene has a molecular weight of 704.06 g/mol, XLogP of 14.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene is sourced from PubChem (CID 145452794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).