2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

C47H29N3O — CID 167403415

IUPAC2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc6c7cccc(-c8ccccc8)c7oc6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-13-30(14-5-1)33-23-24-35-28-36(26-25-34(35)27-33)46-48-45(32-17-8-3-9-18-32)49-47(50-46)42-29-41-40-22-12-21-37(31-15-6-2-7-16-31)43(40)51-44(41)39-20-11-10-19-38(39)42/h1-29H
InChIKeyQJKRAVQLOZNDRD-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine

2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (PubChem CID 167403415) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
PubChem CID167403415
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc6c7cccc(-c8ccccc8)c7oc6c6ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-13-30(14-5-1)33-23-24-35-28-36(26-25-34(35)27-33)46-48-45(32-17-8-3-9-18-32)49-47(50-46)42-29-41-40-22-12-21-37(31-15-6-2-7-16-31)43(40)51-44(41)39-20-11-10-19-38(39)42/h1-29H
InChIKeyQJKRAVQLOZNDRD-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

2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817925
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176817618
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2-dibenzofuran-2-yl-4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818616
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
2-[4-(10-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164834753

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine (CID 167403415) is 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5cc6c7cccc(-c8ccccc8)c7oc6c6ccccc56)n4)ccc3c2)cc1.
What is the InChIKey of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
The InChIKey is QJKRAVQLOZNDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-13-30(14-5-1)33-23-24-35-28-36(26-25-34(35)27-33)46-48-45(32-17-8-3-9-18-32)49-47(50-46)42-29-41-40-22-12-21-37(31-15-6-2-7-16-31)43(40)51-44(41)39-20-11-10-19-38(39)42/h1-29H.
What are the key properties of 2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine?
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-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-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine is sourced from PubChem (CID 167403415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).