2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine

C138H90N6 — CID 158833777

IUPAC2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)n2)c1.c1ccc2c(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)nc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)n5)cc4)cc3)cccc2c1
InChIInChI=1S/2C69H45N3/c1-4-25-61-49(13-1)16-10-28-64(61)52-37-31-46(32-38-52)55-19-7-22-58(43-55)67-70-68(59-23-8-20-56(44-59)47-33-39-53(40-34-47)65-29-11-17-50-14-2-5-26-62(50)65)72-69(71-67)60-24-9-21-57(45-60)48-35-41-54(42-36-48)66-30-12-18-51-15-3-6-27-63(51)66;1-4-16-61-52(10-1)13-7-19-64(61)55-34-22-46(23-35-55)49-28-40-58(41-29-49)67-70-68(59-42-30-50(31-43-59)47-24-36-56(37-25-47)65-20-8-14-53-11-2-5-17-62(53)65)72-69(71-67)60-44-32-51(33-45-60)48-26-38-57(39-27-48)66-21-9-15-54-12-3-6-18-63(54)66/h2*1-45H
InChIKeyIXJIRPVTKRQTPL-UHFFFAOYSA-N
MW1832.28 g/mol
LogP36.67
Rot. Bonds18

About 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine

2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 158833777) has the molecular formula C138H90N6 and a molecular weight of 1832.28 g/mol. Its IUPAC name is 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID158833777
Molecular FormulaC138H90N6
Molecular Weight1832.28 g/mol
Exact Mass1830.72
IUPAC Name2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)n2)c1.c1ccc2c(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)nc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)n5)cc4)cc3)cccc2c1
InChIInChI=1S/2C69H45N3/c1-4-25-61-49(13-1)16-10-28-64(61)52-37-31-46(32-38-52)55-19-7-22-58(43-55)67-70-68(59-23-8-20-56(44-59)47-33-39-53(40-34-47)65-29-11-17-50-14-2-5-26-62(50)65)72-69(71-67)60-24-9-21-57(45-60)48-35-41-54(42-36-48)66-30-12-18-51-15-3-6-27-63(51)66;1-4-16-61-52(10-1)13-7-19-64(61)55-34-22-46(23-35-55)49-28-40-58(41-29-49)67-70-68(59-42-30-50(31-43-59)47-24-36-56(37-25-47)65-20-8-14-53-11-2-5-17-62(53)65)72-69(71-67)60-44-32-51(33-45-60)48-26-38-57(39-27-48)66-21-9-15-54-12-3-6-18-63(54)66/h2*1-45H
InChIKeyIXJIRPVTKRQTPL-UHFFFAOYSA-N
XLogP36.67
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001832.28
LogP ≤ 536.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311645
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158640936
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2,4-dinaphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine;2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165099696
2,4-diphenyl-6-[4-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 160754470

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine (CID 158833777) is 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine is c1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)nc(-c3cccc(-c4ccc(-c5cccc6ccccc56)cc4)c3)n2)c1.c1ccc2c(-c3ccc(-c4ccc(-c5nc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)nc(-c6ccc(-c7ccc(-c8cccc9ccccc89)cc7)cc6)n5)cc4)cc3)cccc2c1.
What is the InChIKey of 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is IXJIRPVTKRQTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H45N3/c1-4-25-61-49(13-1)16-10-28-64(61)52-37-31-46(32-38-52)55-19-7-22-58(43-55)67-70-68(59-23-8-20-56(44-59)47-33-39-53(40-34-47)65-29-11-17-50-14-2-5-26-62(50)65)72-69(71-67)60-24-9-21-57(45-60)48-35-41-54(42-36-48)66-30-12-18-51-15-3-6-27-63(51)66;1-4-16-61-52(10-1)13-7-19-64(61)55-34-22-46(23-35-55)49-28-40-58(41-29-49)67-70-68(59-42-30-50(31-43-59)47-24-36-56(37-25-47)65-20-8-14-53-11-2-5-17-62(53)65)72-69(71-67)60-44-32-51(33-45-60)48-26-38-57(39-27-48)66-21-9-15-54-12-3-6-18-63(54)66/h2*1-45H.
What are the key properties of 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine?
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 1832.28 g/mol, XLogP of 36.67, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 158833777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).