3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine

C116H74N10OS — CID 157156977

IUPAC3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c45)c3)n2)cc1
InChIInChI=1S/C59H38N4S.C57H36N6O/c1-4-17-39(18-5-1)49-36-42(37-50(60-49)40-19-6-2-7-20-40)41-21-16-24-44(35-41)62-52-28-13-11-26-48(52)58-55(62)34-32-47-46-25-10-12-27-51(46)63(59(47)58)45-31-33-54-57(38-45)64-56-30-15-14-29-53(56)61(54)43-22-8-3-9-23-43;1-4-17-37(18-5-1)55-58-56(38-19-6-2-7-20-38)60-57(59-55)39-21-16-24-41(35-39)62-47-28-13-11-26-45(47)53-50(62)34-32-44-43-25-10-12-27-46(43)63(54(44)53)42-31-33-49-52(36-42)64-51-30-15-14-29-48(51)61(49)40-22-8-3-9-23-40/h1-38H;1-36H
InChIKeyALXRKUAYHCDFLU-UHFFFAOYSA-N
MW1656.00 g/mol
LogP30.85
Rot. Bonds12

About 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine

3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine (PubChem CID 157156977) has the molecular formula C116H74N10OS and a molecular weight of 1656.00 g/mol. Its IUPAC name is 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine.

Molecular Properties

Compound Name3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine
PubChem CID157156977
Molecular FormulaC116H74N10OS
Molecular Weight1656.00 g/mol
Exact Mass1654.58
IUPAC Name3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c45)c3)n2)cc1
InChIInChI=1S/C59H38N4S.C57H36N6O/c1-4-17-39(18-5-1)49-36-42(37-50(60-49)40-19-6-2-7-20-40)41-21-16-24-44(35-41)62-52-28-13-11-26-48(52)58-55(62)34-32-47-46-25-10-12-27-51(46)63(59(47)58)45-31-33-54-57(38-45)64-56-30-15-14-29-53(56)61(54)43-22-8-3-9-23-43;1-4-17-37(18-5-1)55-58-56(38-19-6-2-7-20-38)60-57(59-55)39-21-16-24-41(35-39)62-47-28-13-11-26-45(47)53-50(62)34-32-44-43-25-10-12-27-46(43)63(54(44)53)42-31-33-49-52(36-42)64-51-30-15-14-29-48(51)61(49)40-22-8-3-9-23-40/h1-38H;1-36H
InChIKeyALXRKUAYHCDFLU-UHFFFAOYSA-N
XLogP30.85
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.00
LogP ≤ 530.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
The IUPAC name of 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine (CID 157156977) is 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine.
What is the SMILES notation for 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
The canonical SMILES for 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c45)c3)n2)cc1.
What is the InChIKey of 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
The InChIKey is ALXRKUAYHCDFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4S.C57H36N6O/c1-4-17-39(18-5-1)49-36-42(37-50(60-49)40-19-6-2-7-20-40)41-21-16-24-44(35-41)62-52-28-13-11-26-48(52)58-55(62)34-32-47-46-25-10-12-27-51(46)63(59(47)58)45-31-33-54-57(38-45)64-56-30-15-14-29-53(56)61(54)43-22-8-3-9-23-43;1-4-17-37(18-5-1)55-58-56(38-19-6-2-7-20-38)60-57(59-55)39-21-16-24-41(35-39)62-47-28-13-11-26-45(47)53-50(62)34-32-44-43-25-10-12-27-46(43)63(54(44)53)42-31-33-49-52(36-42)64-51-30-15-14-29-48(51)61(49)40-22-8-3-9-23-40/h1-38H;1-36H.
What are the key properties of 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine?
3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine has a molecular weight of 1656.00 g/mol, XLogP of 30.85, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(2,6-diphenyl-4-pyridinyl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenothiazine;3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazol-12-yl]-10-phenylphenoxazine is sourced from PubChem (CID 157156977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).