10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine

C66H41N13O — CID 20606854

IUPAC10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine
SMILESc1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3Oc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1
InChIInChI=1S/C66H41N13O/c1-6-20-43(21-7-1)75-55-40-48(60-72-52-31-17-35-68-64(52)77(60)45-24-10-3-11-25-45)49(61-73-53-32-18-36-69-65(53)78(61)46-26-12-4-13-27-46)41-57(55)80-58-50(62-74-54-33-19-37-70-66(54)79(62)47-28-14-5-15-29-47)38-42(39-56(58)75)59-71-51-30-16-34-67-63(51)76(59)44-22-8-2-9-23-44/h1-41H
InChIKeyHHHFWYOXEUTZLS-UHFFFAOYSA-N
MW1032.14 g/mol
LogP14.87
Rot. Bonds9

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

10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine (PubChem CID 20606854) has the molecular formula C66H41N13O and a molecular weight of 1032.14 g/mol. Its IUPAC name is 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine.

Molecular Properties

Compound Name10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine
PubChem CID20606854
Molecular FormulaC66H41N13O
Molecular Weight1032.14 g/mol
Exact Mass1031.36
IUPAC Name10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine
SMILESc1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3Oc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1
InChIInChI=1S/C66H41N13O/c1-6-20-43(21-7-1)75-55-40-48(60-72-52-31-17-35-68-64(52)77(60)45-24-10-3-11-25-45)49(61-73-53-32-18-36-69-65(53)78(61)46-26-12-4-13-27-46)41-57(55)80-58-50(62-74-54-33-19-37-70-66(54)79(62)47-28-14-5-15-29-47)38-42(39-56(58)75)59-71-51-30-16-34-67-63(51)76(59)44-22-8-2-9-23-44/h1-41H
InChIKeyHHHFWYOXEUTZLS-UHFFFAOYSA-N
XLogP14.87
TPSA135.31 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.14
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

7-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-14,14-dimethyl-10-pyridin-2-yl-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140951507
3-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-dimethyl-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene
CID 140951676
9-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140951750
6-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-diphenyl-8-pyridin-2-yl-[1,4]benzoxasilino[2,3-c]carbazole
CID 140951794
7-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
CID 140951940
2-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-7,7-dimethyl-13-pyridin-2-ylchromeno[2,3-a]carbazole
CID 140952394
9-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-14,14-dimethyl-21-oxa-9,11-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140952783
7-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-21,21-dimethyl-10-pyridin-2-yl-14-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953098
9-[3-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]phenyl]-21,21-dimethyl-14-oxa-7,9-diazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140953173
3-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14,14-dimethyl-21-oxa-3,5-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,11,15,17,19-nonaene
CID 140953556
10-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-5,5-diphenyl-12-pyridin-2-yl-[1,4]benzoxasilino[2,3-a]carbazole
CID 140953826
6-[Fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
CID 140954673

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine?
The IUPAC name of 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine (CID 20606854) is 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine.
What is the SMILES notation for 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine?
The canonical SMILES for 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine is c1ccc(N2c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3Oc3c(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)cc32)cc1.
What is the InChIKey of 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine?
The InChIKey is HHHFWYOXEUTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N13O/c1-6-20-43(21-7-1)75-55-40-48(60-72-52-31-17-35-68-64(52)77(60)45-24-10-3-11-25-45)49(61-73-53-32-18-36-69-65(53)78(61)46-26-12-4-13-27-46)41-57(55)80-58-50(62-74-54-33-19-37-70-66(54)79(62)47-28-14-5-15-29-47)38-42(39-56(58)75)59-71-51-30-16-34-67-63(51)76(59)44-22-8-2-9-23-44/h1-41H.
What are the key properties of 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine?
10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine has a molecular weight of 1032.14 g/mol, XLogP of 14.87, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2,3,6,8-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenoxazine is sourced from PubChem (CID 20606854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).