2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole

C44H24N4O2S — CID 167124523

IUPAC2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4c(-c5nc6c(ccc7oc8ccccc8c76)s5)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H24N4O2S/c1-2-11-25(12-3-1)41-46-42(48-43(47-41)32-19-10-22-35-38(32)30-13-4-6-20-33(30)49-35)28-17-8-16-27-26(28)15-9-18-29(27)44-45-40-37(51-44)24-23-36-39(40)31-14-5-7-21-34(31)50-36/h1-24H
InChIKeyUUZQIXDQNVXZOQ-UHFFFAOYSA-N
MW672.77 g/mol
LogP12.10
Rot. Bonds4

About 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole

2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole (PubChem CID 167124523) has the molecular formula C44H24N4O2S and a molecular weight of 672.77 g/mol. Its IUPAC name is 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole.

Molecular Properties

Compound Name2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole
PubChem CID167124523
Molecular FormulaC44H24N4O2S
Molecular Weight672.77 g/mol
Exact Mass672.16
IUPAC Name2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3cccc4c(-c5nc6c(ccc7oc8ccccc8c76)s5)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H24N4O2S/c1-2-11-25(12-3-1)41-46-42(48-43(47-41)32-19-10-22-35-38(32)30-13-4-6-20-33(30)49-35)28-17-8-16-27-26(28)15-9-18-29(27)44-45-40-37(51-44)24-23-36-39(40)31-14-5-7-21-34(31)50-36/h1-24H
InChIKeyUUZQIXDQNVXZOQ-UHFFFAOYSA-N
XLogP12.10
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.77
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole with MolForge

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Related Compounds

8-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazole
CID 167124525
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzothiazole
CID 167129871
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzothiazole
CID 158470283
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-1,3-benzothiazole
CID 147663496
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[e][1,3]benzoxazole
CID 176764343
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456319
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-phenyl-6-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-17-yl)-1,3,5-triazine
CID 170268666
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-dibenzofuran-1-yl-4-phenyl-6-[5-(8-phenyldibenzothiophen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731840

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole?
The IUPAC name of 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole (CID 167124523) is 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole.
What is the SMILES notation for 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole?
The canonical SMILES for 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole is c1ccc(-c2nc(-c3cccc4c(-c5nc6c(ccc7oc8ccccc8c76)s5)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole?
The InChIKey is UUZQIXDQNVXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N4O2S/c1-2-11-25(12-3-1)41-46-42(48-43(47-41)32-19-10-22-35-38(32)30-13-4-6-20-33(30)49-35)28-17-8-16-27-26(28)15-9-18-29(27)44-45-40-37(51-44)24-23-36-39(40)31-14-5-7-21-34(31)50-36/h1-24H.
What are the key properties of 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole?
2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole has a molecular weight of 672.77 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzothiazole is sourced from PubChem (CID 167124523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).