2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine

C44H34N6S2 — CID 121315563

IUPAC2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7cccs7)n6)cc5)CCCCC4)cc3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C44H34N6S2/c1-4-12-30(13-5-1)38-45-40(49-42(47-38)36-16-10-28-51-36)32-18-22-34(23-19-32)44(26-8-3-9-27-44)35-24-20-33(21-25-35)41-46-39(31-14-6-2-7-15-31)48-43(50-41)37-17-11-29-52-37/h1-2,4-7,10-25,28-29H,3,8-9,26-27H2
InChIKeyAJPGPSCMGLIVFG-UHFFFAOYSA-N
MW710.93 g/mol
LogP11.43
Rot. Bonds8

About 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine

2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine (PubChem CID 121315563) has the molecular formula C44H34N6S2 and a molecular weight of 710.93 g/mol. Its IUPAC name is 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine
PubChem CID121315563
Molecular FormulaC44H34N6S2
Molecular Weight710.93 g/mol
Exact Mass710.23
IUPAC Name2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7cccs7)n6)cc5)CCCCC4)cc3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C44H34N6S2/c1-4-12-30(13-5-1)38-45-40(49-42(47-38)36-16-10-28-51-36)32-18-22-34(23-19-32)44(26-8-3-9-27-44)35-24-20-33(21-25-35)41-46-39(31-14-6-2-7-15-31)48-43(50-41)37-17-11-29-52-37/h1-2,4-7,10-25,28-29H,3,8-9,26-27H2
InChIKeyAJPGPSCMGLIVFG-UHFFFAOYSA-N
XLogP11.43
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.93
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
2-naphthalen-2-yl-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 130392354
2-naphthalen-2-yl-4-phenyl-6-[4-[1-(4-phenylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315528
2,4-diphenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 130392322
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
CID 102341987
4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
CID 121315538
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315574
2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
2-(4-ethenylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 86005531
8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline
CID 130392474
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
2-[4-[1-[4-(3-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176628725

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine (CID 121315563) is 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7cccs7)n6)cc5)CCCCC4)cc3)nc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine?
The InChIKey is AJPGPSCMGLIVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N6S2/c1-4-12-30(13-5-1)38-45-40(49-42(47-38)36-16-10-28-51-36)32-18-22-34(23-19-32)44(26-8-3-9-27-44)35-24-20-33(21-25-35)41-46-39(31-14-6-2-7-15-31)48-43(50-41)37-17-11-29-52-37/h1-2,4-7,10-25,28-29H,3,8-9,26-27H2.
What are the key properties of 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine?
2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine has a molecular weight of 710.93 g/mol, XLogP of 11.43, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[1-[4-(4-phenyl-6-thiophen-2-yl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-thiophen-2-yl-1,3,5-triazine is sourced from PubChem (CID 121315563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).