9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C321H199N27 — CID 162039835

IUPAC9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)c5ccc43)ccc21.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5c5ccccc5n6-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)c4ccc32)cc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7c8c9ccccc9n(-c9cccc%10ccccc9%10)c8ccc76)cccc54)n3)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)c5ccc43)ccc2c1
InChIInChI=1S/C69H45N5.C65H40N6.2C64H39N5.C59H36N6/c1-69(2)54-30-11-7-24-47(54)53-40-44(36-37-55(53)69)72-58-31-12-9-26-51(58)66-63(72)38-39-64-67(66)52-27-10-13-32-59(52)73(64)61-34-17-35-62-65(61)50-25-8-14-33-60(50)74(62)68-70-56(48-28-15-20-42-18-3-5-22-45(42)48)41-57(71-68)49-29-16-21-43-19-4-6-23-46(43)49;1-2-18-41(19-3-1)44-24-14-25-45(40-44)69-53-33-11-9-29-51(53)61-58(69)38-39-59-62(61)52-30-10-12-34-54(52)70(59)56-36-17-37-57-60(56)50-28-8-13-35-55(50)71(57)65-67-63(48-31-15-22-42-20-4-6-26-46(42)48)66-64(68-65)49-32-16-23-43-21-5-7-27-47(43)49;1-4-23-43-40(17-1)20-13-29-46(43)51-39-52(47-30-14-21-41-18-2-5-24-44(41)47)66-64(65-51)69-56-33-12-7-26-48(56)61-57(35-16-36-58(61)69)68-55-32-11-9-28-50(55)63-60(68)38-37-59-62(63)49-27-8-10-31-54(49)67(59)53-34-15-22-42-19-3-6-25-45(42)53;1-2-19-43-38-44(35-34-40(43)16-1)67-54-29-10-8-25-50(54)62-59(67)36-37-60-63(62)51-26-9-11-30-55(51)68(60)57-32-15-33-58-61(57)49-24-7-12-31-56(49)69(58)64-65-52(47-27-13-20-41-17-3-5-22-45(41)47)39-53(66-64)48-28-14-21-42-18-4-6-23-46(42)48;1-2-21-39(22-3-1)63-47-30-11-9-26-45(47)55-52(63)35-36-53-56(55)46-27-10-12-31-48(46)64(53)50-33-16-34-51-54(50)44-25-8-13-32-49(44)65(51)59-61-57(42-28-14-19-37-17-4-6-23-40(37)42)60-58(62-59)43-29-15-20-38-18-5-7-24-41(38)43/h3-41H,1-2H3;1-40H;2*1-39H;1-36H
InChIKeyYXCXYELEBMWJNC-UHFFFAOYSA-N
MW4434.31 g/mol
LogP82.11
Rot. Bonds26

About 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 162039835) has the molecular formula C321H199N27 and a molecular weight of 4434.31 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID162039835
Molecular FormulaC321H199N27
Molecular Weight4434.31 g/mol
Exact Mass4430.64
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)c5ccc43)ccc21.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5c5ccccc5n6-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)c4ccc32)cc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7c8c9ccccc9n(-c9cccc%10ccccc9%10)c8ccc76)cccc54)n3)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)c5ccc43)ccc2c1
InChIInChI=1S/C69H45N5.C65H40N6.2C64H39N5.C59H36N6/c1-69(2)54-30-11-7-24-47(54)53-40-44(36-37-55(53)69)72-58-31-12-9-26-51(58)66-63(72)38-39-64-67(66)52-27-10-13-32-59(52)73(64)61-34-17-35-62-65(61)50-25-8-14-33-60(50)74(62)68-70-56(48-28-15-20-42-18-3-5-22-45(42)48)41-57(71-68)49-29-16-21-43-19-4-6-23-46(43)49;1-2-18-41(19-3-1)44-24-14-25-45(40-44)69-53-33-11-9-29-51(53)61-58(69)38-39-59-62(61)52-30-10-12-34-54(52)70(59)56-36-17-37-57-60(56)50-28-8-13-35-55(50)71(57)65-67-63(48-31-15-22-42-20-4-6-26-46(42)48)66-64(68-65)49-32-16-23-43-21-5-7-27-47(43)49;1-4-23-43-40(17-1)20-13-29-46(43)51-39-52(47-30-14-21-41-18-2-5-24-44(41)47)66-64(65-51)69-56-33-12-7-26-48(56)61-57(35-16-36-58(61)69)68-55-32-11-9-28-50(55)63-60(68)38-37-59-62(63)49-27-8-10-31-54(49)67(59)53-34-15-22-42-19-3-6-25-45(42)53;1-2-19-43-38-44(35-34-40(43)16-1)67-54-29-10-8-25-50(54)62-59(67)36-37-60-63(62)51-26-9-11-30-55(51)68(60)57-32-15-33-58-61(57)49-24-7-12-31-56(49)69(58)64-65-52(47-27-13-20-41-17-3-5-22-45(41)47)39-53(66-64)48-28-14-21-42-18-4-6-23-46(42)48;1-2-21-39(22-3-1)63-47-30-11-9-26-45(47)55-52(63)35-36-53-56(55)46-27-10-12-31-48(46)64(53)50-33-16-34-51-54(50)44-25-8-13-32-49(44)65(51)59-61-57(42-28-14-19-37-17-4-6-23-40(37)42)60-58(62-59)43-29-15-20-38-18-5-7-24-41(38)43/h3-41H,1-2H3;1-40H;2*1-39H;1-36H
InChIKeyYXCXYELEBMWJNC-UHFFFAOYSA-N
XLogP82.11
TPSA228.63 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms348
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004434.31
LogP ≤ 582.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 162039835) is 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)c5ccc43)ccc21.c1ccc(-c2cccc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)nc(-c7cccc8ccccc78)n6)c5ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5cccc6c5c5ccccc5n6-c5nc(-c6cccc7ccccc67)nc(-c6cccc7ccccc67)n5)c4ccc32)cc1.c1ccc2c(-c3cc(-c4cccc5ccccc45)nc(-n4c5ccccc5c5c(-n6c7ccccc7c7c8c9ccccc9n(-c9cccc%10ccccc9%10)c8ccc76)cccc54)n3)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc(-c7cccc8ccccc78)cc(-c7cccc8ccccc78)n6)c5ccc43)ccc2c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is YXCXYELEBMWJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5.C65H40N6.2C64H39N5.C59H36N6/c1-69(2)54-30-11-7-24-47(54)53-40-44(36-37-55(53)69)72-58-31-12-9-26-51(58)66-63(72)38-39-64-67(66)52-27-10-13-32-59(52)73(64)61-34-17-35-62-65(61)50-25-8-14-33-60(50)74(62)68-70-56(48-28-15-20-42-18-3-5-22-45(42)48)41-57(71-68)49-29-16-21-43-19-4-6-23-46(43)49;1-2-18-41(19-3-1)44-24-14-25-45(40-44)69-53-33-11-9-29-51(53)61-58(69)38-39-59-62(61)52-30-10-12-34-54(52)70(59)56-36-17-37-57-60(56)50-28-8-13-35-55(50)71(57)65-67-63(48-31-15-22-42-20-4-6-26-46(42)48)66-64(68-65)49-32-16-23-43-21-5-7-27-47(43)49;1-4-23-43-40(17-1)20-13-29-46(43)51-39-52(47-30-14-21-41-18-2-5-24-44(41)47)66-64(65-51)69-56-33-12-7-26-48(56)61-57(35-16-36-58(61)69)68-55-32-11-9-28-50(55)63-60(68)38-37-59-62(63)49-27-8-10-31-54(49)67(59)53-34-15-22-42-19-3-6-25-45(42)53;1-2-19-43-38-44(35-34-40(43)16-1)67-54-29-10-8-25-50(54)62-59(67)36-37-60-63(62)51-26-9-11-30-55(51)68(60)57-32-15-33-58-61(57)49-24-7-12-31-56(49)69(58)64-65-52(47-27-13-20-41-17-3-5-22-45(41)47)39-53(66-64)48-28-14-21-42-18-4-6-23-46(42)48;1-2-21-39(22-3-1)63-47-30-11-9-26-45(47)55-52(63)35-36-53-56(55)46-27-10-12-31-48(46)64(53)50-33-16-34-51-54(50)44-25-8-13-32-49(44)65(51)59-61-57(42-28-14-19-37-17-4-6-23-40(37)42)60-58(62-59)43-29-15-20-38-18-5-7-24-41(38)43/h3-41H,1-2H3;1-40H;2*1-39H;1-36H.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 4434.31 g/mol, XLogP of 82.11, 26 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-14-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-1-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)carbazol-4-yl]-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[9-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)carbazol-4-yl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 162039835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).