9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole

C66H41N13 — CID 20606866

IUPAC9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c4c5c(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)cc5n(-c5ccccc5)c4c3)nc3cccnc32)cc1
InChIInChI=1S/C66H41N13/c1-6-20-44(21-7-1)75-55-40-42(59-71-51-30-16-34-67-63(51)76(59)45-22-8-2-9-23-45)38-49(61-73-53-32-18-36-69-65(53)78(61)47-26-12-4-13-27-47)57(55)58-50(62-74-54-33-19-37-70-66(54)79(62)48-28-14-5-15-29-48)39-43(41-56(58)75)60-72-52-31-17-35-68-64(52)77(60)46-24-10-3-11-25-46/h1-41H
InChIKeyOJHKWQFLTYRAPL-UHFFFAOYSA-N
MW1016.15 g/mol
LogP14.39
Rot. Bonds9

About 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole

9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole (PubChem CID 20606866) has the molecular formula C66H41N13 and a molecular weight of 1016.15 g/mol. Its IUPAC name is 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole
PubChem CID20606866
Molecular FormulaC66H41N13
Molecular Weight1016.15 g/mol
Exact Mass1015.36
IUPAC Name9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c4c5c(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)cc5n(-c5ccccc5)c4c3)nc3cccnc32)cc1
InChIInChI=1S/C66H41N13/c1-6-20-44(21-7-1)75-55-40-42(59-71-51-30-16-34-67-63(51)76(59)45-22-8-2-9-23-45)38-49(61-73-53-32-18-36-69-65(53)78(61)47-26-12-4-13-27-47)57(55)58-50(62-74-54-33-19-37-70-66(54)79(62)48-28-14-5-15-29-48)39-43(41-56(58)75)60-72-52-31-17-35-68-64(52)77(60)46-24-10-3-11-25-46/h1-41H
InChIKeyOJHKWQFLTYRAPL-UHFFFAOYSA-N
XLogP14.39
TPSA127.77 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.15
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
The IUPAC name of 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole (CID 20606866) is 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole.
What is the SMILES notation for 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
The canonical SMILES for 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole is c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c4c5c(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)cc5n(-c5ccccc5)c4c3)nc3cccnc32)cc1.
What is the InChIKey of 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
The InChIKey is OJHKWQFLTYRAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N13/c1-6-20-44(21-7-1)75-55-40-42(59-71-51-30-16-34-67-63(51)76(59)45-22-8-2-9-23-45)38-49(61-73-53-32-18-36-69-65(53)78(61)47-26-12-4-13-27-47)57(55)58-50(62-74-54-33-19-37-70-66(54)79(62)48-28-14-5-15-29-48)39-43(41-56(58)75)60-72-52-31-17-35-68-64(52)77(60)46-24-10-3-11-25-46/h1-41H.
What are the key properties of 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole?
9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole has a molecular weight of 1016.15 g/mol, XLogP of 14.39, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2,4,5,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)carbazole is sourced from PubChem (CID 20606866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).