2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C45H29N3O2 — CID 170009511

IUPAC2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CCC(c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6oc7ccccc7c6c5)ccc5oc6ccccc6c45)n3)cc2)C=C1
InChIInChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)44-46-43(30-13-5-2-6-14-30)47-45(48-44)42-33(24-26-40-41(42)35-16-8-10-18-38(35)50-40)32-23-25-39-36(27-32)34-15-7-9-17-37(34)49-39/h1-11,13-28H,12H2
InChIKeyUGPZNIRSFSPIQW-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.94
Rot. Bonds5

About 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170009511) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170009511
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CCC(c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6oc7ccccc7c6c5)ccc5oc6ccccc6c45)n3)cc2)C=C1
InChIInChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)44-46-43(30-13-5-2-6-14-30)47-45(48-44)42-33(24-26-40-41(42)35-16-8-10-18-38(35)50-40)32-23-25-39-36(27-32)34-15-7-9-17-37(34)49-39/h1-11,13-28H,12H2
InChIKeyUGPZNIRSFSPIQW-UHFFFAOYSA-N
XLogP11.94
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 ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174316379
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-[3-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163603081
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine
CID 164707909
2-dibenzofuran-2-yl-4-phenanthren-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741485
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174001218
2-[2-(4-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491098

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170009511) is 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=CCC(c2ccc(-c3nc(-c4ccccc4)nc(-c4c(-c5ccc6oc7ccccc7c6c5)ccc5oc6ccccc6c45)n3)cc2)C=C1.
What is the InChIKey of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is UGPZNIRSFSPIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)44-46-43(30-13-5-2-6-14-30)47-45(48-44)42-33(24-26-40-41(42)35-16-8-10-18-38(35)50-40)32-23-25-39-36(27-32)34-15-7-9-17-37(34)49-39/h1-11,13-28H,12H2.
What are the key properties of 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 643.75 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170009511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).