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

C41H27N3O — CID 146183190

IUPAC2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C41H27N3O/c1-3-11-28(12-4-1)29-19-23-32(24-20-29)39-42-40(33-25-21-31(22-26-33)38-27-34-15-7-10-18-37(34)45-38)44-41(43-39)36-17-9-8-16-35(36)30-13-5-2-6-14-30/h1-27H
InChIKeyZLIGXLSIUAWQIY-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.62
Rot. Bonds6

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

2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146183190) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID146183190
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C41H27N3O/c1-3-11-28(12-4-1)29-19-23-32(24-20-29)39-42-40(33-25-21-31(22-26-33)38-27-34-15-7-10-18-37(34)45-38)44-41(43-39)36-17-9-8-16-35(36)30-13-5-2-6-14-30/h1-27H
InChIKeyZLIGXLSIUAWQIY-UHFFFAOYSA-N
XLogP10.62
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183187
2-(1-benzofuran-2-yl)-4-(3-phenylphenyl)-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146183589
2-[2-(1-benzofuran-2-yl)phenyl]-4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167412385
2-[4-(1-benzofuran-2-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150985
4-(1-benzofuran-2-yl)-6-(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)pyrimidine
CID 146183135
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
9-[2-[4-[4-(1-benzofuran-2-yl)phenyl]-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146183194
2-[4-(1-benzofuran-2-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183144
2-(1-benzofuran-2-yl)-4-[2-[2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 167411750
2-(1-benzofuran-2-yl)-4-dibenzofuran-4-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183632
5-[4-(1-benzofuran-2-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 71370304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 146183190) is 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccccc4-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is ZLIGXLSIUAWQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-3-11-28(12-4-1)29-19-23-32(24-20-29)39-42-40(33-25-21-31(22-26-33)38-27-34-15-7-10-18-37(34)45-38)44-41(43-39)36-17-9-8-16-35(36)30-13-5-2-6-14-30/h1-27H.
What are the key properties of 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 10.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146183190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).