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

C44H33N3O — CID 174115673

IUPAC2-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
SMILESC=C1C=C/C=C(/c2cc(-c3nc(C4=CCCC=C4)nc(-c4ccc(-c5ccccc5)cc4)n3)c3c(c2)oc2ccccc23)C/C=C\C=C/1
InChIInChI=1S/C44H33N3O/c1-30-14-5-2-6-18-32(21-13-15-30)36-28-38(41-37-22-11-12-23-39(37)48-40(41)29-36)44-46-42(34-19-9-4-10-20-34)45-43(47-44)35-26-24-33(25-27-35)31-16-7-3-8-17-31/h2-3,5-9,11-17,19-29H,1,4,10,18H2/b6-2-,14-5-,15-13?,32-21+
InChIKeyKZEPKNJTEGPNDL-CFLFKGOASA-N
MW619.77 g/mol
LogP11.52
Rot. Bonds5

About 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

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 (PubChem CID 174115673) has the molecular formula C44H33N3O and a molecular weight of 619.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID174115673
Molecular FormulaC44H33N3O
Molecular Weight619.77 g/mol
Exact Mass619.26
IUPAC Name2-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
SMILESC=C1C=C/C=C(/c2cc(-c3nc(C4=CCCC=C4)nc(-c4ccc(-c5ccccc5)cc4)n3)c3c(c2)oc2ccccc23)C/C=C\C=C/1
InChIInChI=1S/C44H33N3O/c1-30-14-5-2-6-18-32(21-13-15-30)36-28-38(41-37-22-11-12-23-39(37)48-40(41)29-36)44-46-42(34-19-9-4-10-20-34)45-43(47-44)35-26-24-33(25-27-35)31-16-7-3-8-17-31/h2-3,5-9,11-17,19-29H,1,4,10,18H2/b6-2-,14-5-,15-13?,32-21+
InChIKeyKZEPKNJTEGPNDL-CFLFKGOASA-N
XLogP11.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-cyclohexa-1,5-dien-1-yl-4-[4-(7-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167184344
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-cyclohexa-1,5-dien-1-yl-4-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164569004
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-[3-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158453576
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
2-[(8Z,10Z)-7-methylidene-12H-benzo[10]annulen-3-yl]-4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174116735

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C=C/C=C(/c2cc(-c3nc(C4=CCCC=C4)nc(-c4ccc(-c5ccccc5)cc4)n3)c3c(c2)oc2ccccc23)C/C=C\C=C/1.
What is the InChIKey of 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?
The InChIKey is KZEPKNJTEGPNDL-CFLFKGOASA-N. The full InChI is InChI=1S/C44H33N3O/c1-30-14-5-2-6-18-32(21-13-15-30)36-28-38(41-37-22-11-12-23-39(37)48-40(41)29-36)44-46-42(34-19-9-4-10-20-34)45-43(47-44)35-26-24-33(25-27-35)31-16-7-3-8-17-31/h2-3,5-9,11-17,19-29H,1,4,10,18H2/b6-2-,14-5-,15-13?,32-21+.
What are the key properties of 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?
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 has a molecular weight of 619.77 g/mol, XLogP of 11.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174115673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).