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

C25H16ClN3O — CID 142555468

IUPAC2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)C=CCC3)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C25H16ClN3O/c26-25-28-23(17-10-9-15-5-1-2-6-16(15)13-17)27-24(29-25)18-11-12-20-19-7-3-4-8-21(19)30-22(20)14-18/h2-4,6-14H,1,5H2
InChIKeyKWBCMQMLRYVCKO-UHFFFAOYSA-N
MW409.88 g/mol
LogP6.72
Rot. Bonds2

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

2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine (PubChem CID 142555468) has the molecular formula C25H16ClN3O and a molecular weight of 409.88 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
PubChem CID142555468
Molecular FormulaC25H16ClN3O
Molecular Weight409.88 g/mol
Exact Mass409.10
IUPAC Name2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc3c(c2)C=CCC3)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C25H16ClN3O/c26-25-28-23(17-10-9-15-5-1-2-6-16(15)13-17)27-24(29-25)18-11-12-20-19-7-3-4-8-21(19)30-22(20)14-18/h2-4,6-14H,1,5H2
InChIKeyKWBCMQMLRYVCKO-UHFFFAOYSA-N
XLogP6.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.88
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-3-yl-6-(9H-fluoren-2-yl)-1,3,5-triazine
CID 156530666
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 153130331
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 166656528
2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
2-[10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 155714690
2-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
CID 155201224
2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167007600
2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845166

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine (CID 142555468) is 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine is Clc1nc(-c2ccc3c(c2)C=CCC3)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is KWBCMQMLRYVCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN3O/c26-25-28-23(17-10-9-15-5-1-2-6-16(15)13-17)27-24(29-25)18-11-12-20-19-7-3-4-8-21(19)30-22(20)14-18/h2-4,6-14H,1,5H2.
What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine?
2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 409.88 g/mol, XLogP of 6.72, 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-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 142555468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).