10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine

C113H72N14O3 — CID 157248282

IUPAC10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc3c(-n4c5ccccc5n5c6ccccc6nc45)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Oc5ccccc54)c3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4c(cc32)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1
InChIInChI=1S/C57H36N8O.C56H36N6O2/c1-5-21-37(22-6-1)55-59-49-52(62(55)40-27-11-4-12-28-40)54(65-44-32-16-15-31-43(44)64-42-30-14-13-29-41(42)58-57(64)65)50-51(61(39-25-9-3-10-26-39)56(60-50)38-23-7-2-8-24-38)53(49)63-45-33-17-19-35-47(45)66-48-36-20-18-34-46(48)63;1-3-15-39(16-4-1)61-49-35-44-50(36-43(49)57-55(61)37-27-31-41(32-28-37)59-45-19-7-11-23-51(45)63-52-24-12-8-20-46(52)59)62(40-17-5-2-6-18-40)56(58-44)38-29-33-42(34-30-38)60-47-21-9-13-25-53(47)64-54-26-14-10-22-48(54)60/h1-36H;1-36H
InChIKeyAWASBGLVXBWRSN-UHFFFAOYSA-N
MW1673.91 g/mol
LogP28.87
Rot. Bonds12

About 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine

10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine (PubChem CID 157248282) has the molecular formula C113H72N14O3 and a molecular weight of 1673.91 g/mol. Its IUPAC name is 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine
PubChem CID157248282
Molecular FormulaC113H72N14O3
Molecular Weight1673.91 g/mol
Exact Mass1672.59
IUPAC Name10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc3c(-n4c5ccccc5n5c6ccccc6nc45)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Oc5ccccc54)c3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4c(cc32)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1
InChIInChI=1S/C57H36N8O.C56H36N6O2/c1-5-21-37(22-6-1)55-59-49-52(62(55)40-27-11-4-12-28-40)54(65-44-32-16-15-31-43(44)64-42-30-14-13-29-41(42)58-57(64)65)50-51(61(39-25-9-3-10-26-39)56(60-50)38-23-7-2-8-24-38)53(49)63-45-33-17-19-35-47(45)66-48-36-20-18-34-46(48)63;1-3-15-39(16-4-1)61-49-35-44-50(36-43(49)57-55(61)37-27-31-41(32-28-37)59-45-19-7-11-23-51(45)63-52-24-12-8-20-46(52)59)62(40-17-5-2-6-18-40)56(58-44)38-29-33-42(34-30-38)60-47-21-9-13-25-53(47)64-54-26-14-10-22-48(54)60/h1-36H;1-36H
InChIKeyAWASBGLVXBWRSN-UHFFFAOYSA-N
XLogP28.87
TPSA130.92 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001673.91
LogP ≤ 528.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine (CID 157248282) is 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine is c1ccc(-c2nc3c(-n4c5ccccc5n5c6ccccc6nc45)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Oc5ccccc54)c3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4c(cc32)nc(-c2ccc(N3c5ccccc5Oc5ccccc53)cc2)n4-c2ccccc2)cc1.
What is the InChIKey of 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
The InChIKey is AWASBGLVXBWRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N8O.C56H36N6O2/c1-5-21-37(22-6-1)55-59-49-52(62(55)40-27-11-4-12-28-40)54(65-44-32-16-15-31-43(44)64-42-30-14-13-29-41(42)58-57(64)65)50-51(61(39-25-9-3-10-26-39)56(60-50)38-23-7-2-8-24-38)53(49)63-45-33-17-19-35-47(45)66-48-36-20-18-34-46(48)63;1-3-15-39(16-4-1)61-49-35-44-50(36-43(49)57-55(61)37-27-31-41(32-28-37)59-45-19-7-11-23-51(45)63-52-24-12-8-20-46(52)59)62(40-17-5-2-6-18-40)56(58-44)38-29-33-42(34-30-38)60-47-21-9-13-25-53(47)64-54-26-14-10-22-48(54)60/h1-36H;1-36H.
What are the key properties of 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine?
10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine has a molecular weight of 1673.91 g/mol, XLogP of 28.87, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2,3,6,7-tetraphenylimidazo[4,5-f]benzimidazol-8-yl]phenoxazine;10-[4-[2-(4-phenoxazin-10-ylphenyl)-3,7-diphenylimidazo[4,5-f]benzimidazol-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 157248282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).