2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine

C45H27N3O2 — CID 155380232

IUPAC2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-4-14-28(15-5-1)35-24-31(26-39-41(35)33-20-10-12-22-37(33)49-39)44-46-43(30-18-8-3-9-19-30)47-45(48-44)32-25-36(29-16-6-2-7-17-29)42-34-21-11-13-23-38(34)50-40(42)27-32/h1-27H
InChIKeyYSPOWFPBEPRCGW-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

About 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 155380232) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID155380232
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-4-14-28(15-5-1)35-24-31(26-39-41(35)33-20-10-12-22-37(33)49-39)44-46-43(30-18-8-3-9-19-30)47-45(48-44)32-25-36(29-16-6-2-7-17-29)42-34-21-11-13-23-38(34)50-40(42)27-32/h1-27H
InChIKeyYSPOWFPBEPRCGW-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112653
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
2-dibenzofuran-3-yl-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 147701986
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 142491071
2-chrysen-2-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259613
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 155380232) is 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is YSPOWFPBEPRCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-4-14-28(15-5-1)35-24-31(26-39-41(35)33-20-10-12-22-37(33)49-39)44-46-43(30-18-8-3-9-19-30)47-45(48-44)32-25-36(29-16-6-2-7-17-29)42-34-21-11-13-23-38(34)50-40(42)27-32/h1-27H.
What are the key properties of 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 155380232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).