2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine

C33H20ClN3O — CID 169004283

IUPAC2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)c1
InChIInChI=1S/C33H20ClN3O/c34-25-14-7-13-24(20-25)33-36-31(21-9-2-1-3-10-21)35-32(37-33)23-12-6-11-22(19-23)26-16-8-17-28-27-15-4-5-18-29(27)38-30(26)28/h1-20H
InChIKeySNGJOHAPVQMIKK-UHFFFAOYSA-N
MW510.00 g/mol
LogP9.09
Rot. Bonds4

About 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine

2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 169004283) has the molecular formula C33H20ClN3O and a molecular weight of 510.00 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID169004283
Molecular FormulaC33H20ClN3O
Molecular Weight510.00 g/mol
Exact Mass509.13
IUPAC Name2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESClc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)c1
InChIInChI=1S/C33H20ClN3O/c34-25-14-7-13-24(20-25)33-36-31(21-9-2-1-3-10-21)35-32(37-33)23-12-6-11-22(19-23)26-16-8-17-28-27-15-4-5-18-29(27)38-30(26)28/h1-20H
InChIKeySNGJOHAPVQMIKK-UHFFFAOYSA-N
XLogP9.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
2-dibenzofuran-4-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723720
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
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-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-3-yl-4-[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]-6-phenyl-1,3,5-triazine
CID 146431709
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine (CID 169004283) is 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine is Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is SNGJOHAPVQMIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN3O/c34-25-14-7-13-24(20-25)33-36-31(21-9-2-1-3-10-21)35-32(37-33)23-12-6-11-22(19-23)26-16-8-17-28-27-15-4-5-18-29(27)38-30(26)28/h1-20H.
What are the key properties of 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 510.00 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 169004283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).