10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine

C67H43N13 — CID 20606852

IUPAC10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine
SMILESc1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3Cc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1
InChIInChI=1S/C67H43N13/c1-6-20-45(21-7-1)76-58-42-53(63-75-57-33-19-37-71-67(57)80(63)49-28-14-5-15-29-49)52(62-74-56-32-18-36-70-66(56)79(62)48-26-12-4-13-27-48)39-43(58)38-50-51(61-73-55-31-17-35-69-65(55)78(61)47-24-10-3-11-25-47)40-44(41-59(50)76)60-72-54-30-16-34-68-64(54)77(60)46-22-8-2-9-23-46/h1-37,39-42H,38H2
InChIKeyOIGMFTCGKNSITP-UHFFFAOYSA-N
MW1030.17 g/mol
LogP14.66
Rot. Bonds9

About 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine

10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine (PubChem CID 20606852) has the molecular formula C67H43N13 and a molecular weight of 1030.17 g/mol. Its IUPAC name is 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine.

Molecular Properties

Compound Name10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine
PubChem CID20606852
Molecular FormulaC67H43N13
Molecular Weight1030.17 g/mol
Exact Mass1029.38
IUPAC Name10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine
SMILESc1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3Cc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1
InChIInChI=1S/C67H43N13/c1-6-20-45(21-7-1)76-58-42-53(63-75-57-33-19-37-71-67(57)80(63)49-28-14-5-15-29-49)52(62-74-56-32-18-36-70-66(56)79(62)48-26-12-4-13-27-48)39-43(58)38-50-51(61-73-55-31-17-35-69-65(55)78(61)47-24-10-3-11-25-47)40-44(41-59(50)76)60-72-54-30-16-34-68-64(54)77(60)46-22-8-2-9-23-46/h1-37,39-42H,38H2
InChIKeyOIGMFTCGKNSITP-UHFFFAOYSA-N
XLogP14.66
TPSA126.08 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001030.17
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine with MolForge

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Related Compounds

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CID 10052528
6-((4-(2-(4-Tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl)piperazin-1-yl)methyl)quinoxaline
CID 15602807
4-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 54765389
7-Methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370316
5-Methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370343
7-(1-Methylindol-5-yl)-3-phenylpyrido[2,3-b]pyrazine
CID 72544580
7-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 86566631
N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline
CID 86566677
6-[6-(2-Methylphenyl)imidazo[1,2-a]pyrazin-3-yl]quinoline
CID 155549987
5-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 155550628
6-[6-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline
CID 117769454
6-[6-[6-(4-Methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]quinoline
CID 155538702

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
The IUPAC name of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine (CID 20606852) is 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine.
What is the SMILES notation for 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
The canonical SMILES for 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine is c1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3Cc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1.
What is the InChIKey of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
The InChIKey is OIGMFTCGKNSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N13/c1-6-20-45(21-7-1)76-58-42-53(63-75-57-33-19-37-71-67(57)80(63)49-28-14-5-15-29-49)52(62-74-56-32-18-36-70-66(56)79(62)48-26-12-4-13-27-48)39-43(58)38-50-51(61-73-55-31-17-35-69-65(55)78(61)47-24-10-3-11-25-47)40-44(41-59(50)76)60-72-54-30-16-34-68-64(54)77(60)46-22-8-2-9-23-46/h1-37,39-42H,38H2.
What are the key properties of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine has a molecular weight of 1030.17 g/mol, XLogP of 14.66, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine is sourced from PubChem (CID 20606852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).