(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine

C34H28N4 — CID 155420462

IUPAC(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine
SMILESC=C1/C=C\C=C/Cc2ccccc2N1c1cccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C34H28N4/c1-25-14-5-2-6-15-26-16-11-12-23-31(26)38(25)30-22-13-21-29(24-30)34-36-32(27-17-7-3-8-18-27)35-33(37-34)28-19-9-4-10-20-28/h2-3,5-9,11-14,16-24H,1,4,10,15H2/b6-2-,14-5-
InChIKeyVJODVOFPZHUPFA-IYKXSBQZSA-N
MW492.63 g/mol
LogP8.26
Rot. Bonds4

About (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine

(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine (PubChem CID 155420462) has the molecular formula C34H28N4 and a molecular weight of 492.63 g/mol. Its IUPAC name is (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine.

Molecular Properties

Compound Name(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine
PubChem CID155420462
Molecular FormulaC34H28N4
Molecular Weight492.63 g/mol
Exact Mass492.23
IUPAC Name(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine
SMILESC=C1/C=C\C=C/Cc2ccccc2N1c1cccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C34H28N4/c1-25-14-5-2-6-15-26-16-11-12-23-31(26)38(25)30-22-13-21-29(24-30)34-36-32(27-17-7-3-8-18-27)35-33(37-34)28-19-9-4-10-20-28/h2-3,5-9,11-14,16-24H,1,4,10,15H2/b6-2-,14-5-
InChIKeyVJODVOFPZHUPFA-IYKXSBQZSA-N
XLogP8.26
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine with MolForge

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Related Compounds

9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)boronic acid
CID 144602933
2-cyclohexa-1,5-dien-1-yl-4-[3-[(1E,6Z,8Z)-5-methylidenecyclodeca-1,3,6,8-tetraen-1-yl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 174115673
3-[9-[2-carbazol-9-yl-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166701858
5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 145377307
9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314
2-[3-(3-cyclohexa-1,5-dien-1-yl-2,4,5-triphenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168932734
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
(11Z)-15-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-1-yl-9-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,14,16-heptaene
CID 130351406
2-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[2-(methylamino)benzoyl]indazol-3-one
CID 156863135
3-(2-cyclohexa-1,5-dien-1-ylquinazolin-4-yl)-9-phenyl-6-(2-phenylquinazolin-4-yl)carbazole
CID 143224463

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine?
The IUPAC name of (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine (CID 155420462) is (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine.
What is the SMILES notation for (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine?
The canonical SMILES for (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine is C=C1/C=C\C=C/Cc2ccccc2N1c1cccc(-c2nc(C3=CCCC=C3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine?
The InChIKey is VJODVOFPZHUPFA-IYKXSBQZSA-N. The full InChI is InChI=1S/C34H28N4/c1-25-14-5-2-6-15-26-16-11-12-23-31(26)38(25)30-22-13-21-29(24-30)34-36-32(27-17-7-3-8-18-27)35-33(37-34)28-19-9-4-10-20-28/h2-3,5-9,11-14,16-24H,1,4,10,15H2/b6-2-,14-5-.
What are the key properties of (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine?
(3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine has a molecular weight of 492.63 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-methylidene-7H-1-benzazonine is sourced from PubChem (CID 155420462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).