2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C46H31N3O — CID 169281861

IUPAC2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5-c5ccccc5CO6)c4)n3)c2)cc1
InChIInChI=1S/C46H31N3O/c1-4-14-31(15-5-1)34-21-12-22-35(26-34)45-47-44(33-18-8-3-9-19-33)48-46(49-45)39-28-37(32-16-6-2-7-17-32)27-38(29-39)41-24-13-25-42-43(41)40-23-11-10-20-36(40)30-50-42/h1-29H,30H2
InChIKeyYLSZHOHMDRASEJ-UHFFFAOYSA-N
MW641.77 g/mol
LogP11.43
Rot. Bonds6

About 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 169281861) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID169281861
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5-c5ccccc5CO6)c4)n3)c2)cc1
InChIInChI=1S/C46H31N3O/c1-4-14-31(15-5-1)34-21-12-22-35(26-34)45-47-44(33-18-8-3-9-19-33)48-46(49-45)39-28-37(32-16-6-2-7-17-32)27-38(29-39)41-24-13-25-42-43(41)40-23-11-10-20-36(40)30-50-42/h1-29H,30H2
InChIKeyYLSZHOHMDRASEJ-UHFFFAOYSA-N
XLogP11.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169281799
2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169281789
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668
2-(6H-benzo[c]chromen-1-yl)-4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169281785
10-[4-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-6H-benzo[c]chromene
CID 169281806
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311586
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 169281861) is 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc6c5-c5ccccc5CO6)c4)n3)c2)cc1.
What is the InChIKey of 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is YLSZHOHMDRASEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-4-14-31(15-5-1)34-21-12-22-35(26-34)45-47-44(33-18-8-3-9-19-33)48-46(49-45)39-28-37(32-16-6-2-7-17-32)27-38(29-39)41-24-13-25-42-43(41)40-23-11-10-20-36(40)30-50-42/h1-29H,30H2.
What are the key properties of 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 641.77 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169281861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).