2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine

C45H29N3O — CID 118651034

IUPAC2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc5c4c3)c2)cc1
InChIInChI=1S/C45H29N3O/c1-4-13-30(14-5-1)33-19-10-20-34(27-33)35-25-26-41-40(29-35)39-24-12-23-38(42(39)49-41)36-21-11-22-37(28-36)45-47-43(31-15-6-2-7-16-31)46-44(48-45)32-17-8-3-9-18-32/h1-29H
InChIKeyLAIWOASJVFQCAQ-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.77
Rot. Bonds6

About 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine (PubChem CID 118651034) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
PubChem CID118651034
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc5c4c3)c2)cc1
InChIInChI=1S/C45H29N3O/c1-4-13-30(14-5-1)33-19-10-20-34(27-33)35-25-26-41-40(29-35)39-24-12-23-38(42(39)49-41)36-21-11-22-37(28-36)45-47-43(31-15-6-2-7-16-31)46-44(48-45)32-17-8-3-9-18-32/h1-29H
InChIKeyLAIWOASJVFQCAQ-UHFFFAOYSA-N
XLogP11.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-phenyl-4-[6-(4-phenylphenyl)dibenzofuran-2-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797229
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146431469
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine (CID 118651034) is 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4oc5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)cccc5c4c3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
The InChIKey is LAIWOASJVFQCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-4-13-30(14-5-1)33-19-10-20-34(27-33)35-25-26-41-40(29-35)39-24-12-23-38(42(39)49-41)36-21-11-22-37(28-36)45-47-43(31-15-6-2-7-16-31)46-44(48-45)32-17-8-3-9-18-32/h1-29H.
What are the key properties of 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 118651034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).