3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

C332H214N30O — CID 165054348

IUPAC3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
SMILESN/C(=N\C(=N/Cc1cccc2c3cc4c(-c5ccccc5)nc5ccccc5c4cc3n(-c3ccccc3)c12)c1ccccc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3cccc4c5cc6c(-c7ccccc7)nc7ccccc7c6cc5n(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c7cc8c(-c9ccccc9)nc9ccccc9c8cc7n(-c7ccccc7)c56)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c5cc6c(-c7ccccc7)nc7ccccc7c6cc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6cc7c(-c8ccccc8)nc8ccccc8c7cc6n(-c6ccccc6)c45)c3)n2)cc1.c1ccc(Nc2cc3c(cc2-c2cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)c2)c(-c2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C59H37N5.C58H40N6.C58H37N5O.C58H37N5.C52H33N5.C47H30N4/c1-4-17-39(18-5-1)57-50-35-49-46-26-16-27-47(58(46)64(41-21-8-3-9-22-41)56(49)36-48(50)43-23-10-13-28-51(43)60-57)53-37-52(61-59(62-53)40-19-6-2-7-20-40)38-31-33-42(34-32-38)63-54-29-14-11-24-44(54)45-25-12-15-30-55(45)63;59-57(40-22-16-26-43(34-40)63-52-32-14-11-28-45(52)46-29-12-15-33-53(46)63)62-58(39-20-6-2-7-21-39)60-37-41-23-17-30-47-49-35-50-48(36-54(49)64(56(41)47)42-24-8-3-9-25-42)44-27-10-13-31-51(44)61-55(50)38-18-4-1-5-19-38;1-4-17-37(18-5-1)54-50-35-48(52(59-43-25-8-3-9-26-43)36-49(50)45-27-10-12-31-51(45)60-54)40-22-15-24-42(34-40)58-62-56(38-19-6-2-7-20-38)61-57(63-58)41-23-14-21-39(33-41)44-29-16-30-47-46-28-11-13-32-53(46)64-55(44)47;1-5-17-38(18-6-1)43-23-15-24-44(35-43)58-61-56(41-21-9-3-10-22-41)60-57(62-58)42-33-31-39(32-34-42)46-28-16-29-48-50-36-51-49(37-53(50)63(55(46)48)45-25-11-4-12-26-45)47-27-13-14-30-52(47)59-54(51)40-19-7-2-8-20-40;1-5-17-34(18-6-1)48-45-32-44-42-29-16-28-40(49(42)57(39-25-11-4-12-26-39)47(44)33-43(45)41-27-13-14-30-46(41)53-48)37-23-15-24-38(31-37)52-55-50(35-19-7-2-8-20-35)54-51(56-52)36-21-9-3-10-22-36;1-5-16-31(17-6-1)42-30-43(50-47(49-42)33-20-9-3-10-21-33)37-26-15-25-36-39-28-40-38(29-44(39)51(46(36)37)34-22-11-4-12-23-34)35-24-13-14-27-41(35)48-45(40)32-18-7-2-8-19-32/h1-37H;1-36H,37H2,(H2,59,60,62);1-36,59H;1-37H;1-33H;1-30H
InChIKeyQDYGKLMRACDCAI-UHFFFAOYSA-N
MW4639.57 g/mol
LogP83.48
Rot. Bonds39

About 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene

3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (PubChem CID 165054348) has the molecular formula C332H214N30O and a molecular weight of 4639.57 g/mol. Its IUPAC name is 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.

Molecular Properties

Compound Name3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
PubChem CID165054348
Molecular FormulaC332H214N30O
Molecular Weight4639.57 g/mol
Exact Mass4635.76
IUPAC Name3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
SMILESN/C(=N\C(=N/Cc1cccc2c3cc4c(-c5ccccc5)nc5ccccc5c4cc3n(-c3ccccc3)c12)c1ccccc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3cccc4c5cc6c(-c7ccccc7)nc7ccccc7c6cc5n(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c7cc8c(-c9ccccc9)nc9ccccc9c8cc7n(-c7ccccc7)c56)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c5cc6c(-c7ccccc7)nc7ccccc7c6cc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6cc7c(-c8ccccc8)nc8ccccc8c7cc6n(-c6ccccc6)c45)c3)n2)cc1.c1ccc(Nc2cc3c(cc2-c2cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)c2)c(-c2ccccc2)nc2ccccc23)cc1
InChIInChI=1S/C59H37N5.C58H40N6.C58H37N5O.C58H37N5.C52H33N5.C47H30N4/c1-4-17-39(18-5-1)57-50-35-49-46-26-16-27-47(58(46)64(41-21-8-3-9-22-41)56(49)36-48(50)43-23-10-13-28-51(43)60-57)53-37-52(61-59(62-53)40-19-6-2-7-20-40)38-31-33-42(34-32-38)63-54-29-14-11-24-44(54)45-25-12-15-30-55(45)63;59-57(40-22-16-26-43(34-40)63-52-32-14-11-28-45(52)46-29-12-15-33-53(46)63)62-58(39-20-6-2-7-21-39)60-37-41-23-17-30-47-49-35-50-48(36-54(49)64(56(41)47)42-24-8-3-9-25-42)44-27-10-13-31-51(44)61-55(50)38-18-4-1-5-19-38;1-4-17-37(18-5-1)54-50-35-48(52(59-43-25-8-3-9-26-43)36-49(50)45-27-10-12-31-51(45)60-54)40-22-15-24-42(34-40)58-62-56(38-19-6-2-7-20-38)61-57(63-58)41-23-14-21-39(33-41)44-29-16-30-47-46-28-11-13-32-53(46)64-55(44)47;1-5-17-38(18-6-1)43-23-15-24-44(35-43)58-61-56(41-21-9-3-10-22-41)60-57(62-58)42-33-31-39(32-34-42)46-28-16-29-48-50-36-51-49(37-53(50)63(55(46)48)45-25-11-4-12-26-45)47-27-13-14-30-52(47)59-54(51)40-19-7-2-8-20-40;1-5-17-34(18-6-1)48-45-32-44-42-29-16-28-40(49(42)57(39-25-11-4-12-26-39)47(44)33-43(45)41-27-13-14-30-46(41)53-48)37-23-15-24-38(31-37)52-55-50(35-19-7-2-8-20-35)54-51(56-52)36-21-9-3-10-22-36;1-5-16-31(17-6-1)42-30-43(50-47(49-42)33-20-9-3-10-21-33)37-26-15-25-36-39-28-40-38(29-44(39)51(46(36)37)34-22-11-4-12-23-34)35-24-13-14-27-41(35)48-45(40)32-18-7-2-8-19-32/h1-37H;1-36H,37H2,(H2,59,60,62);1-36,59H;1-37H;1-33H;1-30H
InChIKeyQDYGKLMRACDCAI-UHFFFAOYSA-N
XLogP83.48
TPSA355.33 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms363
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004639.57
LogP ≤ 583.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?
The IUPAC name of 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene (CID 165054348) is 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene.
What is the SMILES notation for 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?
The canonical SMILES for 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is N/C(=N\C(=N/Cc1cccc2c3cc4c(-c5ccccc5)nc5ccccc5c4cc3n(-c3ccccc3)c12)c1ccccc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cc(-c3cccc4c5cc6c(-c7ccccc7)nc7ccccc7c6cc5n(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c7cc8c(-c9ccccc9)nc9ccccc9c8cc7n(-c7ccccc7)c56)cc4)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c5cc6c(-c7ccccc7)nc7ccccc7c6cc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6cc7c(-c8ccccc8)nc8ccccc8c7cc6n(-c6ccccc6)c45)c3)n2)cc1.c1ccc(Nc2cc3c(cc2-c2cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)n4)c2)c(-c2ccccc2)nc2ccccc23)cc1.
What is the InChIKey of 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?
The InChIKey is QDYGKLMRACDCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5.C58H40N6.C58H37N5O.C58H37N5.C52H33N5.C47H30N4/c1-4-17-39(18-5-1)57-50-35-49-46-26-16-27-47(58(46)64(41-21-8-3-9-22-41)56(49)36-48(50)43-23-10-13-28-51(43)60-57)53-37-52(61-59(62-53)40-19-6-2-7-20-40)38-31-33-42(34-32-38)63-54-29-14-11-24-44(54)45-25-12-15-30-55(45)63;59-57(40-22-16-26-43(34-40)63-52-32-14-11-28-45(52)46-29-12-15-33-53(46)63)62-58(39-20-6-2-7-21-39)60-37-41-23-17-30-47-49-35-50-48(36-54(49)64(56(41)47)42-24-8-3-9-25-42)44-27-10-13-31-51(44)61-55(50)38-18-4-1-5-19-38;1-4-17-37(18-5-1)54-50-35-48(52(59-43-25-8-3-9-26-43)36-49(50)45-27-10-12-31-51(45)60-54)40-22-15-24-42(34-40)58-62-56(38-19-6-2-7-20-38)61-57(63-58)41-23-14-21-39(33-41)44-29-16-30-47-46-28-11-13-32-53(46)64-55(44)47;1-5-17-38(18-6-1)43-23-15-24-44(35-43)58-61-56(41-21-9-3-10-22-41)60-57(62-58)42-33-31-39(32-34-42)46-28-16-29-48-50-36-51-49(37-53(50)63(55(46)48)45-25-11-4-12-26-45)47-27-13-14-30-52(47)59-54(51)40-19-7-2-8-20-40;1-5-17-34(18-6-1)48-45-32-44-42-29-16-28-40(49(42)57(39-25-11-4-12-26-39)47(44)33-43(45)41-27-13-14-30-46(41)53-48)37-23-15-24-38(31-37)52-55-50(35-19-7-2-8-20-35)54-51(56-52)36-21-9-3-10-22-36;1-5-16-31(17-6-1)42-30-43(50-47(49-42)33-20-9-3-10-21-33)37-26-15-25-36-39-28-40-38(29-44(39)51(46(36)37)34-22-11-4-12-23-34)35-24-13-14-27-41(35)48-45(40)32-18-7-2-8-19-32/h1-37H;1-36H,37H2,(H2,59,60,62);1-36,59H;1-37H;1-33H;1-30H.
What are the key properties of 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene?
3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene has a molecular weight of 4639.57 g/mol, XLogP of 83.48, 39 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N'-[N-[(10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaen-8-yl)methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide;8-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-N,6-diphenylphenanthridin-9-amine;10,21-diphenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-(2,6-diphenylpyrimidin-4-yl)-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 165054348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).