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

C48H31N5 — CID 169053647

IUPAC2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3)n3c(-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C48H31N5/c1-4-15-33(16-5-1)43-41-25-12-13-26-42(41)49-45(50-43)36-29-27-32(28-30-36)37-21-14-22-38(31-37)47-51-46(35-19-8-3-9-20-35)52-48-40-24-11-10-23-39(40)44(53(47)48)34-17-6-2-7-18-34/h1-31H
InChIKeySRDYNXUHPOGPAX-UHFFFAOYSA-N
MW677.81 g/mol
LogP11.83
Rot. Bonds6

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

2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole (PubChem CID 169053647) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole
PubChem CID169053647
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3)n3c(-c4ccccc4)c4ccccc4c3n2)cc1
InChIInChI=1S/C48H31N5/c1-4-15-33(16-5-1)43-41-25-12-13-26-42(41)49-45(50-43)36-29-27-32(28-30-36)37-21-14-22-38(31-37)47-51-46(35-19-8-3-9-20-35)52-48-40-24-11-10-23-39(40)44(53(47)48)34-17-6-2-7-18-34/h1-31H
InChIKeySRDYNXUHPOGPAX-UHFFFAOYSA-N
XLogP11.83
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole with MolForge

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Related Compounds

2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
CID 169053567
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
10-[3-(2,6-diphenyl-[1,3,5]triazino[2,1-a]isoindol-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 169053721
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
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
3-phenyl-5-[3-[3-[4-(4-pyridin-4-ylphenyl)quinazolin-2-yl]phenyl]phenyl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 159956051
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-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
2-(7-phenylnaphthalen-2-yl)-4-[3-[2-(7-phenylnaphthalen-2-yl)quinazolin-4-yl]phenyl]quinazoline
CID 144856190
2,6-diphenyl-4-[3-[3-(4-phenyl-1,2-dihydroquinolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole
CID 169053546
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole?
The IUPAC name of 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole (CID 169053647) is 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole.
What is the SMILES notation for 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole?
The canonical SMILES for 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c3)n3c(-c4ccccc4)c4ccccc4c3n2)cc1.
What is the InChIKey of 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole?
The InChIKey is SRDYNXUHPOGPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c1-4-15-33(16-5-1)43-41-25-12-13-26-42(41)49-45(50-43)36-29-27-32(28-30-36)37-21-14-22-38(31-37)47-51-46(35-19-8-3-9-20-35)52-48-40-24-11-10-23-39(40)44(53(47)48)34-17-6-2-7-18-34/h1-31H.
What are the key properties of 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole?
2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole has a molecular weight of 677.81 g/mol, XLogP of 11.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole is sourced from PubChem (CID 169053647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).