3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole

C53H36N4 — CID 154596814

IUPAC3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
SMILESc1ccc(-c2ccc3c(c2)c(-c2cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c2)cn3-c2ccccc2)cc1
InChIInChI=1S/C53H36N4/c1-5-16-37(17-6-1)44-30-31-50-48(35-44)49(36-57(50)47-28-11-4-12-29-47)45-26-14-24-42(33-45)40-22-13-23-41(32-40)43-25-15-27-46(34-43)53-55-51(38-18-7-2-8-19-38)54-52(56-53)39-20-9-3-10-21-39/h1-36H
InChIKeySUWZBQVPYQCYOH-UHFFFAOYSA-N
MW728.90 g/mol
LogP13.48
Rot. Bonds8

About 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole

3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole (PubChem CID 154596814) has the molecular formula C53H36N4 and a molecular weight of 728.90 g/mol. Its IUPAC name is 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole.

Molecular Properties

Compound Name3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
PubChem CID154596814
Molecular FormulaC53H36N4
Molecular Weight728.90 g/mol
Exact Mass728.29
IUPAC Name3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
SMILESc1ccc(-c2ccc3c(c2)c(-c2cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c2)cn3-c2ccccc2)cc1
InChIInChI=1S/C53H36N4/c1-5-16-37(17-6-1)44-30-31-50-48(35-44)49(36-57(50)47-28-11-4-12-29-47)45-26-14-24-42(33-45)40-22-13-23-41(32-40)43-25-15-27-46(34-43)53-55-51(38-18-7-2-8-19-38)54-52(56-53)39-20-9-3-10-21-39/h1-36H
InChIKeySUWZBQVPYQCYOH-UHFFFAOYSA-N
XLogP13.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole with MolForge

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Related Compounds

1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
CID 154596791
3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole
CID 154596557
1,3,5-tris(3,5-diphenylphenyl)indole
CID 126620752
1-(3,5-diphenylphenyl)-3,5-bis[4-(4-phenylphenyl)phenyl]indole
CID 126620681
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
CID 126620677
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole
CID 154596544
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6,9-triphenylcarbazole
CID 118299164
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole?
The IUPAC name of 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole (CID 154596814) is 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole.
What is the SMILES notation for 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole?
The canonical SMILES for 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole is c1ccc(-c2ccc3c(c2)c(-c2cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c2)cn3-c2ccccc2)cc1.
What is the InChIKey of 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole?
The InChIKey is SUWZBQVPYQCYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4/c1-5-16-37(17-6-1)44-30-31-50-48(35-44)49(36-57(50)47-28-11-4-12-29-47)45-26-14-24-42(33-45)40-22-13-23-41(32-40)43-25-15-27-46(34-43)53-55-51(38-18-7-2-8-19-38)54-52(56-53)39-20-9-3-10-21-39/h1-36H.
What are the key properties of 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole?
3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole has a molecular weight of 728.90 g/mol, XLogP of 13.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole is sourced from PubChem (CID 154596814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).