2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine

C33H18ClN3O — CID 171812786

IUPAC2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine
SMILESClc1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3c4ccccc4c4ccccc4c23)n1
InChIInChI=1S/C33H18ClN3O/c34-33-36-31(35-32(37-33)26-16-8-18-28-30(26)24-13-5-6-17-27(24)38-28)25-15-7-14-23-21-10-2-1-9-19(21)20-11-3-4-12-22(20)29(23)25/h1-18H
InChIKeyYBZUUCRPFIYXKL-UHFFFAOYSA-N
MW507.98 g/mol
LogP9.22
Rot. Bonds2

About 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine

2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine (PubChem CID 171812786) has the molecular formula C33H18ClN3O and a molecular weight of 507.98 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine
PubChem CID171812786
Molecular FormulaC33H18ClN3O
Molecular Weight507.98 g/mol
Exact Mass507.11
IUPAC Name2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine
SMILESClc1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3c4ccccc4c4ccccc4c23)n1
InChIInChI=1S/C33H18ClN3O/c34-33-36-31(35-32(37-33)26-16-8-18-28-30(26)24-13-5-6-17-27(24)38-28)25-15-7-14-23-21-10-2-1-9-19(21)20-11-3-4-12-22(20)29(23)25/h1-18H
InChIKeyYBZUUCRPFIYXKL-UHFFFAOYSA-N
XLogP9.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177278886
2-chloro-4-dibenzofuran-1-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 168908626
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine
CID 168908516
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2,4-dichloro-6-(2-dibenzofuran-1-yl-6-fluorophenyl)-1,3,5-triazine
CID 171578577
2-chloro-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 148797499
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-6-triphenylen-1-yl-1,3,5-triazine
CID 147180477
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
2-chloro-4-dibenzofuran-1-ylquinazoline
CID 126536609
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine (CID 171812786) is 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine is Clc1nc(-c2cccc3oc4ccccc4c23)nc(-c2cccc3c4ccccc4c4ccccc4c23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine?
The InChIKey is YBZUUCRPFIYXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18ClN3O/c34-33-36-31(35-32(37-33)26-16-8-18-28-30(26)24-13-5-6-17-27(24)38-28)25-15-7-14-23-21-10-2-1-9-19(21)20-11-3-4-12-22(20)29(23)25/h1-18H.
What are the key properties of 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine?
2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine has a molecular weight of 507.98 g/mol, XLogP of 9.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine is sourced from PubChem (CID 171812786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).