2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine

C31H20ClN3O — CID 167008501

IUPAC2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClC1=c2ccccc2=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)CC1
InChIInChI=1S/C31H20ClN3O/c32-25-18-17-22(20-11-4-5-12-21(20)25)30-33-29(19-9-2-1-3-10-19)34-31(35-30)24-14-8-16-27-28(24)23-13-6-7-15-26(23)36-27/h1-16H,17-18H2
InChIKeyIIULJRUTUBQTQN-UHFFFAOYSA-N
MW485.97 g/mol
LogP6.44
Rot. Bonds3

About 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine

2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 167008501) has the molecular formula C31H20ClN3O and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
PubChem CID167008501
Molecular FormulaC31H20ClN3O
Molecular Weight485.97 g/mol
Exact Mass485.13
IUPAC Name2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
SMILESClC1=c2ccccc2=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)CC1
InChIInChI=1S/C31H20ClN3O/c32-25-18-17-22(20-11-4-5-12-21(20)25)30-33-29(19-9-2-1-3-10-19)34-31(35-30)24-14-8-16-27-28(24)23-13-6-7-15-26(23)36-27/h1-16H,17-18H2
InChIKeyIIULJRUTUBQTQN-UHFFFAOYSA-N
XLogP6.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177278886

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine (CID 167008501) is 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is ClC1=c2ccccc2=C(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)CC1.
What is the InChIKey of 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is IIULJRUTUBQTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3O/c32-25-18-17-22(20-11-4-5-12-21(20)25)30-33-29(19-9-2-1-3-10-19)34-31(35-30)24-14-8-16-27-28(24)23-13-6-7-15-26(23)36-27/h1-16H,17-18H2.
What are the key properties of 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine?
2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 485.97 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3-dihydronaphthalen-1-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167008501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).