10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole

C42H24N4O2 — CID 170776778

IUPAC10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4oc5ccccc5c4cc3o2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-12-27(13-3-1)42-43-37-35(48-42)24-33-32-16-8-9-17-34(32)47-38(33)36(37)41-45-39(30-20-18-25-10-4-6-14-28(25)22-30)44-40(46-41)31-21-19-26-11-5-7-15-29(26)23-31/h1-24H
InChIKeyIUMAOSDATFXHCH-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.89
Rot. Bonds4

About 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole

10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 170776778) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
PubChem CID170776778
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4oc5ccccc5c4cc3o2)cc1
InChIInChI=1S/C42H24N4O2/c1-2-12-27(13-3-1)42-43-37-35(48-42)24-33-32-16-8-9-17-34(32)47-38(33)36(37)41-45-39(30-20-18-25-10-4-6-14-28(25)22-30)44-40(46-41)31-21-19-26-11-5-7-15-29(26)23-31/h1-24H
InChIKeyIUMAOSDATFXHCH-UHFFFAOYSA-N
XLogP10.89
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167128480
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]aniline
CID 167129971
13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
CID 177085986
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167125281
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167129857
9-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylphenanthro[9,10-d][1,3]oxazole
CID 163798639
10-[4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazole
CID 171455348
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2,4-dinaphthalen-2-yl-6-(4-naphthalen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 176616923
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-10-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 167128841
2-naphthalen-2-yl-10-[4-naphthalen-2-yl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzothiazole
CID 167130179
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-4-yl)phenyl]aniline
CID 167128625

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The IUPAC name of 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 170776778) is 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The canonical SMILES for 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2nc3c(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)c4oc5ccccc5c4cc3o2)cc1.
What is the InChIKey of 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
The InChIKey is IUMAOSDATFXHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-2-12-27(13-3-1)42-43-37-35(48-42)24-33-32-16-8-9-17-34(32)47-38(33)36(37)41-45-39(30-20-18-25-10-4-6-14-28(25)22-30)44-40(46-41)31-21-19-26-11-5-7-15-29(26)23-31/h1-24H.
What are the key properties of 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole?
10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole has a molecular weight of 616.68 g/mol, XLogP of 10.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 170776778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).