2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine

C27H16ClN3O — CID 139384244

IUPAC2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccc(-c4ccccc4)cc23)n1
InChIInChI=1S/C27H16ClN3O/c28-27-30-25(18-9-5-2-6-10-18)29-26(31-27)20-11-13-21-22-15-19(17-7-3-1-4-8-17)12-14-23(22)32-24(21)16-20/h1-16H
InChIKeyBPGDZPFMNIEPRJ-UHFFFAOYSA-N
MW433.90 g/mol
LogP7.43
Rot. Bonds3

About 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 139384244) has the molecular formula C27H16ClN3O and a molecular weight of 433.90 g/mol. Its IUPAC name is 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID139384244
Molecular FormulaC27H16ClN3O
Molecular Weight433.90 g/mol
Exact Mass433.10
IUPAC Name2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccc(-c4ccccc4)cc23)n1
InChIInChI=1S/C27H16ClN3O/c28-27-30-25(18-9-5-2-6-10-18)29-26(31-27)20-11-13-21-22-15-19(17-7-3-1-4-8-17)12-14-23(22)32-24(21)16-20/h1-16H
InChIKeyBPGDZPFMNIEPRJ-UHFFFAOYSA-N
XLogP7.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364883
2-phenyl-4-(7-phenyldibenzofuran-2-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 139549251
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 139384244) is 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine is Clc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccc(-c4ccccc4)cc23)n1.
What is the InChIKey of 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is BPGDZPFMNIEPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClN3O/c28-27-30-25(18-9-5-2-6-10-18)29-26(31-27)20-11-13-21-22-15-19(17-7-3-1-4-8-17)12-14-23(22)32-24(21)16-20/h1-16H.
What are the key properties of 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 433.90 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 139384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).