2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C49H29N3O2 — CID 170019606

IUPAC2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cc5oc6ccccc6c5c5ccccc45)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-14-30(15-4-1)32-18-13-19-33(28-32)47-50-48(39-27-26-34(31-16-5-2-6-17-31)46-45(39)38-23-10-12-25-42(38)54-46)52-49(51-47)40-29-43-44(36-21-8-7-20-35(36)40)37-22-9-11-24-41(37)53-43/h1-29H
InChIKeyITEIALOYCKRSKC-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170019606) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170019606
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cc5oc6ccccc6c5c5ccccc45)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C49H29N3O2/c1-3-14-30(15-4-1)32-18-13-19-33(28-32)47-50-48(39-27-26-34(31-16-5-2-6-17-31)46-45(39)38-23-10-12-25-42(38)54-46)52-49(51-47)40-29-43-44(36-21-8-7-20-35(36)40)37-22-9-11-24-41(37)53-43/h1-29H
InChIKeyITEIALOYCKRSKC-UHFFFAOYSA-N
XLogP13.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161320517
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155079176
2-dibenzofuran-1-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818397
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742723
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748
2-(10-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 167143797
2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 170019606) is 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cc5oc6ccccc6c5c5ccccc45)nc(-c4ccc(-c5ccccc5)c5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is ITEIALOYCKRSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-3-14-30(15-4-1)32-18-13-19-33(28-32)47-50-48(39-27-26-34(31-16-5-2-6-17-31)46-45(39)38-23-10-12-25-42(38)54-46)52-49(51-47)40-29-43-44(36-21-8-7-20-35(36)40)37-22-9-11-24-41(37)53-43/h1-29H.
What are the key properties of 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 691.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[2,1-b][1]benzofuran-5-yl-4-(4-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170019606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).