9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole

C56H34N4O — CID 176764425

IUPAC9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4cccc(-c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc(-c8ccccc8)c8ccccc78)n6)c6ccccc56)c4c3o2)cc1
InChIInChI=1S/C56H34N4O/c1-3-15-36(16-4-1)41-29-31-48(44-23-11-9-21-42(41)44)54-58-53(40-27-26-35-14-7-8-19-39(35)34-40)59-55(60-54)49-32-30-46(43-22-10-12-24-45(43)49)47-25-13-20-37-28-33-50-52(51(37)47)61-56(57-50)38-17-5-2-6-18-38/h1-34H
InChIKeyRYWHKBBJGCHHEZ-UHFFFAOYSA-N
MW778.92 g/mol
LogP14.63
Rot. Bonds6

About 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole

9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 176764425) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID176764425
Molecular FormulaC56H34N4O
Molecular Weight778.92 g/mol
Exact Mass778.27
IUPAC Name9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4cccc(-c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc(-c8ccccc8)c8ccccc78)n6)c6ccccc56)c4c3o2)cc1
InChIInChI=1S/C56H34N4O/c1-3-15-36(16-4-1)41-29-31-48(44-23-11-9-21-42(41)44)54-58-53(40-27-26-35-14-7-8-19-39(35)34-40)59-55(60-54)49-32-30-46(43-22-10-12-24-45(43)49)47-25-13-20-37-28-33-50-52(51(37)47)61-56(57-50)38-17-5-2-6-18-38/h1-34H
InChIKeyRYWHKBBJGCHHEZ-UHFFFAOYSA-N
XLogP14.63
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole with MolForge

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Related Compounds

9-[4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764455
17-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631320
18-[4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631539
9-[8-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764556
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764361
17-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631304
2-naphthalen-2-yl-9-[4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzo[g][1,3]benzoxazole
CID 176764272
9-[4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764505
9-[2-(4-naphthalen-1-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764233
9-[4-[4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764262
2-phenyl-9-[2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[g][1,3]benzoxazole
CID 176764427
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764513

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole (CID 176764425) is 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc3ccc4cccc(-c5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc(-c8ccccc8)c8ccccc78)n6)c6ccccc56)c4c3o2)cc1.
What is the InChIKey of 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is RYWHKBBJGCHHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-3-15-36(16-4-1)41-29-31-48(44-23-11-9-21-42(41)44)54-58-53(40-27-26-35-14-7-8-19-39(35)34-40)59-55(60-54)49-32-30-46(43-22-10-12-24-45(43)49)47-25-13-20-37-28-33-50-52(51(37)47)61-56(57-50)38-17-5-2-6-18-38/h1-34H.
What are the key properties of 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole?
9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 778.92 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-naphthalen-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).