2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C33H22ClN3O — CID 167030218

IUPAC2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1cccc(C3=NC(c4ccccc4)N=C(c4ccc(-c5ccccc5)cc4)N3)c12
InChIInChI=1S/C33H22ClN3O/c34-25-18-19-26-29(20-25)38-28-13-7-12-27(30(26)28)33-36-31(23-10-5-2-6-11-23)35-32(37-33)24-16-14-22(15-17-24)21-8-3-1-4-9-21/h1-20,31H,(H,35,36,37)
InChIKeySHOHSFBMWJFTDW-UHFFFAOYSA-N
MW512.01 g/mol
LogP8.40
Rot. Bonds4

About 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 167030218) has the molecular formula C33H22ClN3O and a molecular weight of 512.01 g/mol. Its IUPAC name is 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID167030218
Molecular FormulaC33H22ClN3O
Molecular Weight512.01 g/mol
Exact Mass511.15
IUPAC Name2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1cccc(C3=NC(c4ccccc4)N=C(c4ccc(-c5ccccc5)cc4)N3)c12
InChIInChI=1S/C33H22ClN3O/c34-25-18-19-26-29(20-25)38-28-13-7-12-27(30(26)28)33-36-31(23-10-5-2-6-11-23)35-32(37-33)24-16-14-22(15-17-24)21-8-3-1-4-9-21/h1-20,31H,(H,35,36,37)
InChIKeySHOHSFBMWJFTDW-UHFFFAOYSA-N
XLogP8.40
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.01
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 118888315
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185

Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 167030218) is 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is Clc1ccc2c(c1)oc1cccc(C3=NC(c4ccccc4)N=C(c4ccc(-c5ccccc5)cc4)N3)c12.
What is the InChIKey of 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is SHOHSFBMWJFTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClN3O/c34-25-18-19-26-29(20-25)38-28-13-7-12-27(30(26)28)33-36-31(23-10-5-2-6-11-23)35-32(37-33)24-16-14-22(15-17-24)21-8-3-1-4-9-21/h1-20,31H,(H,35,36,37).
What are the key properties of 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 512.01 g/mol, XLogP of 8.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167030218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).