10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine

C67H43N13 — CID 23391255

IUPAC10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine
SMILESc1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)c3Cc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1
InChIInChI=1S/C67H43N13/c1-6-20-45(21-7-1)76-58-40-43(60-72-54-30-16-34-68-64(54)77(60)46-22-8-2-9-23-46)38-52(62-74-56-32-18-36-70-66(56)79(62)48-26-12-4-13-27-48)50(58)42-51-53(63-75-57-33-19-37-71-67(57)80(63)49-28-14-5-15-29-49)39-44(41-59(51)76)61-73-55-31-17-35-69-65(55)78(61)47-24-10-3-11-25-47/h1-41H,42H2
InChIKeyIDYMHDSHBQDFEJ-UHFFFAOYSA-N
MW1030.17 g/mol
LogP14.66
Rot. Bonds9

About 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine

10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine (PubChem CID 23391255) has the molecular formula C67H43N13 and a molecular weight of 1030.17 g/mol. Its IUPAC name is 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine.

Molecular Properties

Compound Name10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine
PubChem CID23391255
Molecular FormulaC67H43N13
Molecular Weight1030.17 g/mol
Exact Mass1029.38
IUPAC Name10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine
SMILESc1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)c3Cc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1
InChIInChI=1S/C67H43N13/c1-6-20-45(21-7-1)76-58-40-43(60-72-54-30-16-34-68-64(54)77(60)46-22-8-2-9-23-46)38-52(62-74-56-32-18-36-70-66(56)79(62)48-26-12-4-13-27-48)50(58)42-51-53(63-75-57-33-19-37-71-67(57)80(63)49-28-14-5-15-29-49)39-44(41-59(51)76)61-73-55-31-17-35-69-65(55)78(61)47-24-10-3-11-25-47/h1-41H,42H2
InChIKeyIDYMHDSHBQDFEJ-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

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
The IUPAC name of 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine (CID 23391255) is 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine.
What is the SMILES notation for 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
The canonical SMILES for 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine is c1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)c3Cc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1.
What is the InChIKey of 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
The InChIKey is IDYMHDSHBQDFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N13/c1-6-20-45(21-7-1)76-58-40-43(60-72-54-30-16-34-68-64(54)77(60)46-22-8-2-9-23-46)38-52(62-74-56-32-18-36-70-66(56)79(62)48-26-12-4-13-27-48)50(58)42-51-53(63-75-57-33-19-37-71-67(57)80(63)49-28-14-5-15-29-49)39-44(41-59(51)76)61-73-55-31-17-35-69-65(55)78(61)47-24-10-3-11-25-47/h1-41H,42H2.
What are the key properties of 10-phenyl-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine?
10-phenyl-1,3,6,8-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-1,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)-9H-acridine is sourced from PubChem (CID 23391255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).