2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole

C54H30N4O2S — CID 171411414

IUPAC2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cccc5c4sc4ccc6oc(-c7ccc8oc9ccccc9c8c7)nc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C54H30N4O2S/c1-2-12-32(13-3-1)51-56-52(34-22-21-31-11-4-5-14-33(31)29-34)58-53(57-51)41-25-24-38(36-15-6-7-16-37(36)41)40-18-10-19-42-48-47(61-50(40)42)28-27-46-49(48)55-54(60-46)35-23-26-45-43(30-35)39-17-8-9-20-44(39)59-45/h1-30H
InChIKeyVVKTUWUTWBCTCJ-UHFFFAOYSA-N
MW798.93 g/mol
LogP14.92
Rot. Bonds5

About 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole

2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole (PubChem CID 171411414) has the molecular formula C54H30N4O2S and a molecular weight of 798.93 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole
PubChem CID171411414
Molecular FormulaC54H30N4O2S
Molecular Weight798.93 g/mol
Exact Mass798.21
IUPAC Name2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cccc5c4sc4ccc6oc(-c7ccc8oc9ccccc9c8c7)nc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C54H30N4O2S/c1-2-12-32(13-3-1)51-56-52(34-22-21-31-11-4-5-14-33(31)29-34)58-53(57-51)41-25-24-38(36-15-6-7-16-37(36)41)40-18-10-19-42-48-47(61-50(40)42)28-27-46-49(48)55-54(60-46)35-23-26-45-43(30-35)39-17-8-9-20-44(39)59-45/h1-30H
InChIKeyVVKTUWUTWBCTCJ-UHFFFAOYSA-N
XLogP14.92
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.93
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole with MolForge

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Related Compounds

2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167123648
2-dibenzofuran-1-yl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole
CID 171411758
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-6-oxa-11-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177085872
2-dibenzofuran-2-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazine
CID 155050287
18-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-6-oxa-11-thia-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086206
16-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086323
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176632674
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
13-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 177085978
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[2,1-e][1,3]benzoxazole
CID 170122475
2-dibenzothiophen-1-yl-7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-e][1,3]benzoxazole
CID 171411275
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole?
The IUPAC name of 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole (CID 171411414) is 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole.
What is the SMILES notation for 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole?
The canonical SMILES for 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4cccc5c4sc4ccc6oc(-c7ccc8oc9ccccc9c8c7)nc6c45)c4ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole?
The InChIKey is VVKTUWUTWBCTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N4O2S/c1-2-12-32(13-3-1)51-56-52(34-22-21-31-11-4-5-14-33(31)29-34)58-53(57-51)41-25-24-38(36-15-6-7-16-37(36)41)40-18-10-19-42-48-47(61-50(40)42)28-27-46-49(48)55-54(60-46)35-23-26-45-43(30-35)39-17-8-9-20-44(39)59-45/h1-30H.
What are the key properties of 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole?
2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole has a molecular weight of 798.93 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-e][1,3]benzoxazole is sourced from PubChem (CID 171411414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).