2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine

C45H29N3O2 — CID 171430910

IUPAC2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccc4oc5cc(-c6ccccc6)cc(-c6ccccc6)c5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)=C1
InChIInChI=1S/C45H29N3O2/c1-4-13-28(14-5-1)32-26-36(29-15-6-2-7-16-29)41-37-25-31(23-24-39(37)49-40(41)27-32)44-46-43(30-17-8-3-9-18-30)47-45(48-44)35-21-12-20-34-33-19-10-11-22-38(33)50-42(34)35/h1-8,10-17,19-27H,9,18H2
InChIKeyWBKSGZQAXBQCNK-UHFFFAOYSA-N
MW643.75 g/mol
LogP12.07
Rot. Bonds5

About 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 171430910) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine
PubChem CID171430910
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccc4oc5cc(-c6ccccc6)cc(-c6ccccc6)c5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)=C1
InChIInChI=1S/C45H29N3O2/c1-4-13-28(14-5-1)32-26-36(29-15-6-2-7-16-29)41-37-25-31(23-24-39(37)49-40(41)27-32)44-46-43(30-17-8-3-9-18-30)47-45(48-44)35-21-12-20-34-33-19-10-11-22-38(33)50-42(34)35/h1-8,10-17,19-27H,9,18H2
InChIKeyWBKSGZQAXBQCNK-UHFFFAOYSA-N
XLogP12.07
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.75
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353221
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-cyclohexa-1,3-dien-1-yl-9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155203381
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170301983
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 170116450
3-[4-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-bis(4-phenylphenyl)aniline
CID 170297555
2-dibenzofuran-3-yl-4-[8-(1-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-triphenylen-1-yl-1,3,5-triazine
CID 168908553
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170378755

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine (CID 171430910) is 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine is C1=CCCC(c2nc(-c3ccc4oc5cc(-c6ccccc6)cc(-c6ccccc6)c5c4c3)nc(-c3cccc4c3oc3ccccc34)n2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is WBKSGZQAXBQCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c1-4-13-28(14-5-1)32-26-36(29-15-6-2-7-16-29)41-37-25-31(23-24-39(37)49-40(41)27-32)44-46-43(30-17-8-3-9-18-30)47-45(48-44)35-21-12-20-34-33-19-10-11-22-38(33)50-42(34)35/h1-8,10-17,19-27H,9,18H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 643.75 g/mol, XLogP of 12.07, 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-dien-1-yl-4-dibenzofuran-4-yl-6-(7,9-diphenyldibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 171430910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).