2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

C63H45N3 — CID 172831162

IUPAC2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=CC(c2ccccc2)(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC(c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c2)=C1
InChIInChI=1S/C63H45N3/c1-8-24-45(25-9-1)55-43-56(58(47-28-12-3-13-29-47)59(48-30-14-4-15-31-48)57(55)46-26-10-2-11-27-46)52-37-22-36-51(42-52)53-38-23-41-63(44-53,54-39-20-7-21-40-54)62-65-60(49-32-16-5-17-33-49)64-61(66-62)50-34-18-6-19-35-50/h1-43H,44H2
InChIKeyVNKNAYBIWDYFBV-UHFFFAOYSA-N
MW844.07 g/mol
LogP15.87
Rot. Bonds10

About 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (PubChem CID 172831162) has the molecular formula C63H45N3 and a molecular weight of 844.07 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
PubChem CID172831162
Molecular FormulaC63H45N3
Molecular Weight844.07 g/mol
Exact Mass843.36
IUPAC Name2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=CC(c2ccccc2)(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC(c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c2)=C1
InChIInChI=1S/C63H45N3/c1-8-24-45(25-9-1)55-43-56(58(47-28-12-3-13-29-47)59(48-30-14-4-15-31-48)57(55)46-26-10-2-11-27-46)52-37-22-36-51(42-52)53-38-23-41-63(44-53,54-39-20-7-21-40-54)62-65-60(49-32-16-5-17-33-49)64-61(66-62)50-34-18-6-19-35-50/h1-43H,44H2
InChIKeyVNKNAYBIWDYFBV-UHFFFAOYSA-N
XLogP15.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.07
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-diphenyl-5-[3-[4-phenyl-6-[1-phenyl-5-(3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177312540
2-[3-(1,4-diphenylnaphthalen-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171730885
2-[4-phenyl-6-(1-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazin-2-yl]phenol
CID 140983692
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(2-phenylphenyl)-2-[4-(2,3,4,5-tetraphenylphenyl)phenyl]pyrimidine
CID 154987174
2-[3-(3-cyclohexa-1,5-dien-1-yl-2,4,5-triphenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168932734
4,6-diphenyl-2-[3-[2-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]pyrimidine
CID 122647988
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2,4-diphenyl-6-[3-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine;13-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene;13-[4-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 158023215
2-phenyl-4-(3-phenylphenyl)-6-[4-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]-1,3,5-triazine
CID 167363777
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2-(1-benzothiophen-2-yl)-4-(3-phenylphenyl)-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 146246095
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (CID 172831162) is 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is C1=CC(c2ccccc2)(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC(c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccccc3)c2)=C1.
What is the InChIKey of 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The InChIKey is VNKNAYBIWDYFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3/c1-8-24-45(25-9-1)55-43-56(58(47-28-12-3-13-29-47)59(48-30-14-4-15-31-48)57(55)46-26-10-2-11-27-46)52-37-22-36-51(42-52)53-38-23-41-63(44-53,54-39-20-7-21-40-54)62-65-60(49-32-16-5-17-33-49)64-61(66-62)50-34-18-6-19-35-50/h1-43H,44H2.
What are the key properties of 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine has a molecular weight of 844.07 g/mol, XLogP of 15.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[1-phenyl-5-[3-(2,3,4,5-tetraphenylphenyl)phenyl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is sourced from PubChem (CID 172831162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).