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

C52H34N6 — CID 169053664

IUPAC2-[4-[4-(3,7-diphenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2ccnc3c2nc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)n6c(-c7ccccc7)c7ccccc7c6n5)cc4)cc2)n3-c2ccccc2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-37(16-6-1)43-33-34-53-52-46(43)54-49(57(52)42-21-11-4-12-22-42)41-31-27-36(28-32-41)35-25-29-39(30-26-35)48-55-50(40-19-9-3-10-20-40)58-47(38-17-7-2-8-18-38)44-23-13-14-24-45(44)51(58)56-48/h1-34H
InChIKeyGHYFUGTVXRAHHW-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.62
Rot. Bonds7

About 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

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 (PubChem CID 169053664) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[4-(3,7-diphenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
PubChem CID169053664
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name2-[4-[4-(3,7-diphenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
SMILESc1ccc(-c2ccnc3c2nc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)n6c(-c7ccccc7)c7ccccc7c6n5)cc4)cc2)n3-c2ccccc2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-37(16-6-1)43-33-34-53-52-46(43)54-49(57(52)42-21-11-4-12-22-42)41-31-27-36(28-32-41)35-25-29-39(30-26-35)48-55-50(40-19-9-3-10-20-40)58-47(38-17-7-2-8-18-38)44-23-13-14-24-45(44)51(58)56-48/h1-34H
InChIKeyGHYFUGTVXRAHHW-UHFFFAOYSA-N
XLogP12.62
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
CID 169053567
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
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-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
CID 131983329
10-[3-(2,6-diphenyl-[1,3,5]triazino[2,1-a]isoindol-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 169053721
2-[3-[3-(2,4-diphenyl-[1,3,5]triazino[2,1-a]isoindol-6-yl)phenyl]phenyl]-1-phenylphenanthro[9,10-b]pyrrole
CID 169053646
2,6-diphenyl-4-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-[1,3,5]triazino[2,1-a]isoindole
CID 169053647
12-[3-(2,6-diphenyl-[1,3,5]triazino[2,1-a]isoindol-4-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 169053607
9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole
CID 144769427
9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole
CID 144769349
2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500704

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccnc3c2nc(-c2ccc(-c4ccc(-c5nc(-c6ccccc6)n6c(-c7ccccc7)c7ccccc7c6n5)cc4)cc2)n3-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is GHYFUGTVXRAHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-5-15-37(16-6-1)43-33-34-53-52-46(43)54-49(57(52)42-21-11-4-12-22-42)41-31-27-36(28-32-41)35-25-29-39(30-26-35)48-55-50(40-19-9-3-10-20-40)58-47(38-17-7-2-8-18-38)44-23-13-14-24-45(44)51(58)56-48/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 742.89 g/mol, XLogP of 12.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169053664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).