2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine

C45H29N3O2 — CID 170129577

IUPAC2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)n2)=CC(c2ccccc2)C1
InChIInChI=1S/C45H29N3O2/c1-3-12-28(13-4-1)30-16-9-17-32(26-30)43-46-44(48-45(47-43)37-21-10-19-34-33-18-7-8-22-38(33)50-42(34)37)36-20-11-23-39-41(36)35-25-24-31(27-40(35)49-39)29-14-5-2-6-15-29/h1-15,17-27,30H,16H2
InChIKeyGTUQKEJHANAUMA-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.80
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 170129577) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID170129577
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)n2)=CC(c2ccccc2)C1
InChIInChI=1S/C45H29N3O2/c1-3-12-28(13-4-1)30-16-9-17-32(26-30)43-46-44(48-45(47-43)37-21-10-19-34-33-18-7-8-22-38(33)50-42(34)37)36-20-11-23-39-41(36)35-25-24-31(27-40(35)49-39)29-14-5-2-6-15-29/h1-15,17-27,30H,16H2
InChIKeyGTUQKEJHANAUMA-UHFFFAOYSA-N
XLogP11.80
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 ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170378755
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 170129577) is 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine is C1=CC(c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4oc5cc(-c6ccccc6)ccc5c34)n2)=CC(c2ccccc2)C1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is GTUQKEJHANAUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c1-3-12-28(13-4-1)30-16-9-17-32(26-30)43-46-44(48-45(47-43)37-21-10-19-34-33-18-7-8-22-38(33)50-42(34)37)36-20-11-23-39-41(36)35-25-24-31(27-40(35)49-39)29-14-5-2-6-15-29/h1-15,17-27,30H,16H2.
What are the key properties of 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 643.75 g/mol, XLogP of 11.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 170129577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).