4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C49H33N3O — CID 134299619

IUPAC4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc(-c5cccc(-c6ccc7c(c6)oc6cc8ccccc8cc67)c5)c4)c3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-12-32(13-4-1)47-50-48(33-14-5-2-6-15-33)52-49(51-47)42-23-11-22-38(28-42)36-20-9-18-34(26-36)35-19-10-21-37(27-35)41-24-25-43-44-29-39-16-7-8-17-40(39)30-46(44)53-45(43)31-41/h1-31,49H,(H,50,51,52)
InChIKeyHONDUJMZYYDTIZ-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.24
Rot. Bonds6

About 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 134299619) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID134299619
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc(-c5cccc(-c6ccc7c(c6)oc6cc8ccccc8cc67)c5)c4)c3)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-12-32(13-4-1)47-50-48(33-14-5-2-6-15-33)52-49(51-47)42-23-11-22-38(28-42)36-20-9-18-34(26-36)35-19-10-21-37(27-35)41-24-25-43-44-29-39-16-7-8-17-40(39)30-46(44)53-45(43)31-41/h1-31,49H,(H,50,51,52)
InChIKeyHONDUJMZYYDTIZ-UHFFFAOYSA-N
XLogP12.24
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156553938
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-(3-naphtho[2,1-b][1]benzofuran-11-ylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 142294091
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
3-[6-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinoxalin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168747063

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 134299619) is 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4cccc(-c5cccc(-c6ccc7c(c6)oc6cc8ccccc8cc67)c5)c4)c3)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is HONDUJMZYYDTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-12-32(13-4-1)47-50-48(33-14-5-2-6-15-33)52-49(51-47)42-23-11-22-38(28-42)36-20-9-18-34(26-36)35-19-10-21-37(27-35)41-24-25-43-44-29-39-16-7-8-17-40(39)30-46(44)53-45(43)31-41/h1-31,49H,(H,50,51,52).
What are the key properties of 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 134299619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).