2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine

C45H31N3O2 — CID 163645476

IUPAC2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CCC(c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(C6C=CC=C7Oc8ccc(-c9ccccc9)cc8C76)n5)c4c3c2)C=C1
InChIInChI=1S/C45H31N3O2/c1-4-12-28(13-5-1)31-22-24-37-35(26-31)41-33(18-10-20-39(41)49-37)44-46-43(30-16-8-3-9-17-30)47-45(48-44)34-19-11-21-40-42(34)36-27-32(23-25-38(36)50-40)29-14-6-2-7-15-29/h1-14,16-27,29,33,41H,15H2
InChIKeyIHVUVXVSQMXXOW-UHFFFAOYSA-N
MW645.76 g/mol
LogP11.09
Rot. Bonds5

About 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine

2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 163645476) has the molecular formula C45H31N3O2 and a molecular weight of 645.76 g/mol. Its IUPAC name is 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
PubChem CID163645476
Molecular FormulaC45H31N3O2
Molecular Weight645.76 g/mol
Exact Mass645.24
IUPAC Name2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CCC(c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(C6C=CC=C7Oc8ccc(-c9ccccc9)cc8C76)n5)c4c3c2)C=C1
InChIInChI=1S/C45H31N3O2/c1-4-12-28(13-5-1)31-22-24-37-35(26-31)41-33(18-10-20-39(41)49-37)44-46-43(30-16-8-3-9-17-30)47-45(48-44)34-19-11-21-40-42(34)36-27-32(23-25-38(36)50-40)29-14-6-2-7-15-29/h1-14,16-27,29,33,41H,15H2
InChIKeyIHVUVXVSQMXXOW-UHFFFAOYSA-N
XLogP11.09
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.76
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078
2-(3-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174316379
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170209349
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-dibenzofuran-1-yl-4-[4-(5-dibenzofuran-2-yl-6-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163976927
4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 134198873

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine (CID 163645476) is 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine is C1=CCC(c2ccc3oc4cccc(-c5nc(-c6ccccc6)nc(C6C=CC=C7Oc8ccc(-c9ccccc9)cc8C76)n5)c4c3c2)C=C1.
What is the InChIKey of 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is IHVUVXVSQMXXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O2/c1-4-12-28(13-5-1)31-22-24-37-35(26-31)41-33(18-10-20-39(41)49-37)44-46-43(30-16-8-3-9-17-30)47-45(48-44)34-19-11-21-40-42(34)36-27-32(23-25-38(36)50-40)29-14-6-2-7-15-29/h1-14,16-27,29,33,41H,15H2.
What are the key properties of 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine?
2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 645.76 g/mol, XLogP of 11.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 163645476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).