2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine

C45H25N3O2 — CID 169011350

IUPAC2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESC1=C=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5cc(-c7ccccc7)ccc56)cccc34)n2)=CC=1
InChIInChI=1S/C45H25N3O2/c1-4-12-28(13-5-1)31-22-24-33-35-18-10-20-37(41(35)49-39(33)26-31)38-21-11-19-36-34-25-23-32(27-40(34)50-42(36)38)45-47-43(29-14-6-2-7-15-29)46-44(48-45)30-16-8-3-9-17-30/h1-2,4-8,10-27H
InChIKeyJPHUDMOSYZJQRF-UHFFFAOYSA-N
MW639.71 g/mol
LogP11.60
Rot. Bonds5

About 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine

2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 169011350) has the molecular formula C45H25N3O2 and a molecular weight of 639.71 g/mol. Its IUPAC name is 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID169011350
Molecular FormulaC45H25N3O2
Molecular Weight639.71 g/mol
Exact Mass639.19
IUPAC Name2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESC1=C=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5cc(-c7ccccc7)ccc56)cccc34)n2)=CC=1
InChIInChI=1S/C45H25N3O2/c1-4-12-28(13-5-1)31-22-24-33-35-18-10-20-37(41(35)49-39(33)26-31)38-21-11-19-36-34-25-23-32(27-40(34)50-42(36)38)45-47-43(29-14-6-2-7-15-29)46-44(48-45)30-16-8-3-9-17-30/h1-2,4-8,10-27H
InChIKeyJPHUDMOSYZJQRF-UHFFFAOYSA-N
XLogP11.60
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.71
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377164
2-dibenzofuran-4-yl-4-[4-(6-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177269991
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine (CID 169011350) is 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine is C1=C=CC(c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5cc(-c7ccccc7)ccc56)cccc34)n2)=CC=1.
What is the InChIKey of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is JPHUDMOSYZJQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O2/c1-4-12-28(13-5-1)31-22-24-33-35-18-10-20-37(41(35)49-39(33)26-31)38-21-11-19-36-34-25-23-32(27-40(34)50-42(36)38)45-47-43(29-14-6-2-7-15-29)46-44(48-45)30-16-8-3-9-17-30/h1-2,4-8,10-27H.
What are the key properties of 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine?
2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 639.71 g/mol, XLogP of 11.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3,4,5-tetraen-1-yl-4-phenyl-6-[6-(7-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 169011350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).