2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine

C47H29N3O — CID 177130949

IUPAC2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4cc5ccccc5c5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)ccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-12-30(13-5-1)33-20-21-35-27-37(23-22-34(35)26-33)41-28-36-18-10-11-19-39(36)44-43(41)40-25-24-38(29-42(40)51-44)47-49-45(31-14-6-2-7-15-31)48-46(50-47)32-16-8-3-9-17-32/h1-29H
InChIKeyAJROYQUHTUTMMN-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine

2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine (PubChem CID 177130949) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
PubChem CID177130949
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4cc5ccccc5c5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)ccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-12-30(13-5-1)33-20-21-35-27-37(23-22-34(35)26-33)41-28-36-18-10-11-19-39(36)44-43(41)40-25-24-38(29-42(40)51-44)47-49-45(31-14-6-2-7-15-31)48-46(50-47)32-16-8-3-9-17-32/h1-29H
InChIKeyAJROYQUHTUTMMN-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
4-naphthalen-2-yl-2-phenyl-6-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)pyrimidine
CID 169048803
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968
2-(9-chloronaphtho[1,2-b][1]benzofuran-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155122129
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853446
4-(4-naphthalen-2-ylphenyl)-2-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 169048819
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-phenanthren-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797435

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine (CID 177130949) is 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4cc5ccccc5c5oc6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc6c45)ccc3c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
The InChIKey is AJROYQUHTUTMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-12-30(13-5-1)33-20-21-35-27-37(23-22-34(35)26-33)41-28-36-18-10-11-19-39(36)44-43(41)40-25-24-38(29-42(40)51-44)47-49-45(31-14-6-2-7-15-31)48-46(50-47)32-16-8-3-9-17-32/h1-29H.
What are the key properties of 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine?
2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine is sourced from PubChem (CID 177130949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).