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

C54H32N4O2 — CID 176764386

IUPAC9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5c(-c6cccc7ccc8nc(-c9ccccc9)oc8c67)cccc5c34)n2)cc1
InChIInChI=1S/C54H32N4O2/c1-3-13-36(14-4-1)51-56-52(37-27-24-34(25-28-37)40-29-26-33-12-7-8-17-39(33)32-40)58-53(57-51)44-22-11-23-46-48(44)43-21-10-20-42(49(43)59-46)41-19-9-18-35-30-31-45-50(47(35)41)60-54(55-45)38-15-5-2-6-16-38/h1-32H
InChIKeyYCQCNNUUHVKWMS-UHFFFAOYSA-N
MW768.88 g/mol
LogP14.22
Rot. Bonds6

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

9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole (PubChem CID 176764386) has the molecular formula C54H32N4O2 and a molecular weight of 768.88 g/mol. Its IUPAC name is 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole.

Molecular Properties

Compound Name9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole
PubChem CID176764386
Molecular FormulaC54H32N4O2
Molecular Weight768.88 g/mol
Exact Mass768.25
IUPAC Name9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5c(-c6cccc7ccc8nc(-c9ccccc9)oc8c67)cccc5c34)n2)cc1
InChIInChI=1S/C54H32N4O2/c1-3-13-36(14-4-1)51-56-52(37-27-24-34(25-28-37)40-29-26-33-12-7-8-17-39(33)32-40)58-53(57-51)44-22-11-23-46-48(44)43-21-10-20-42(49(43)59-46)41-19-9-18-35-30-31-45-50(47(35)41)60-54(55-45)38-15-5-2-6-16-38/h1-32H
InChIKeyYCQCNNUUHVKWMS-UHFFFAOYSA-N
XLogP14.22
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.88
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
9-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764260
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-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
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
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
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
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
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
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The IUPAC name of 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole (CID 176764386) is 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole.
What is the SMILES notation for 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The canonical SMILES for 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4oc5c(-c6cccc7ccc8nc(-c9ccccc9)oc8c67)cccc5c34)n2)cc1.
What is the InChIKey of 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole?
The InChIKey is YCQCNNUUHVKWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O2/c1-3-13-36(14-4-1)51-56-52(37-27-24-34(25-28-37)40-29-26-33-12-7-8-17-39(33)32-40)58-53(57-51)44-22-11-23-46-48(44)43-21-10-20-42(49(43)59-46)41-19-9-18-35-30-31-45-50(47(35)41)60-54(55-45)38-15-5-2-6-16-38/h1-32H.
What are the key properties of 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole?
9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole has a molecular weight of 768.88 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylbenzo[g][1,3]benzoxazole is sourced from PubChem (CID 176764386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).