6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole

C51H32N6 — CID 169053412

IUPAC6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2nc(-c3ccccc3)n3c(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C51H32N6/c1-3-17-36(18-4-1)47-55-50(38-19-5-2-6-20-38)57-45(41-25-11-12-26-44(41)51(57)56-47)35-29-31-37(32-30-35)46-52-48(42-27-13-21-33-15-7-9-23-39(33)42)54-49(53-46)43-28-14-22-34-16-8-10-24-40(34)43/h1-32H
InChIKeyOEIFOQJMVITEBH-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.38
Rot. Bonds6

About 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole

6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole (PubChem CID 169053412) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole.

Molecular Properties

Compound Name6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole
PubChem CID169053412
Molecular FormulaC51H32N6
Molecular Weight728.86 g/mol
Exact Mass728.27
IUPAC Name6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2nc(-c3ccccc3)n3c(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C51H32N6/c1-3-17-36(18-4-1)47-55-50(38-19-5-2-6-20-38)57-45(41-25-11-12-26-44(41)51(57)56-47)35-29-31-37(32-30-35)46-52-48(42-27-13-21-33-15-7-9-23-39(33)42)54-49(53-46)43-28-14-22-34-16-8-10-24-40(34)43/h1-32H
InChIKeyOEIFOQJMVITEBH-UHFFFAOYSA-N
XLogP12.38
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole
CID 169053538
2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
CID 169053567
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole
CID 169053647
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-[4-[4-(2,6-diphenyl-[1,3,5]triazino[2,1-a]isoindol-4-yl)phenyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 169053732
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499
2-[4-[4-(3,7-diphenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
CID 169053664
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315433

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
The IUPAC name of 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole (CID 169053412) is 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole.
What is the SMILES notation for 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
The canonical SMILES for 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole is c1ccc(-c2nc(-c3ccccc3)n3c(-c4ccc(-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)cc4)c4ccccc4c3n2)cc1.
What is the InChIKey of 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
The InChIKey is OEIFOQJMVITEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-3-17-36(18-4-1)47-55-50(38-19-5-2-6-20-38)57-45(41-25-11-12-26-44(41)51(57)56-47)35-29-31-37(32-30-35)46-52-48(42-27-13-21-33-15-7-9-23-39(33)42)54-49(53-46)43-28-14-22-34-16-8-10-24-40(34)43/h1-32H.
What are the key properties of 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole?
6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole has a molecular weight of 728.86 g/mol, XLogP of 12.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindole is sourced from PubChem (CID 169053412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).