9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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

C299H185N25 — CID 158398649

IUPAC9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc7ccccc7nc6-c6cccc7ccccc67)c5ccc43)ccc21.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8c7c7ccccc7n8-c7nc8ccccc8nc7-c7cccc8ccccc78)c6ccc54)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c7ccccc7n(-c7nc8ccccc8nc7-c7ccc8ccccc8c7)c6c5)c4ccc32)cc1.c1ccc2c(-c3nc4ccccc4nc3-n3c4ccccc4c4c(-n5c6ccccc6c6c7c8ccccc8n(-c8cccc9ccccc89)c7ccc65)cccc43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc7ccccc7nc6-c6cccc7ccccc67)c5ccc43)ccc2c1
InChIInChI=1S/C66H41N5.C63H41N5.2C58H35N5.C54H33N5/c1-2-17-42(18-3-1)43-35-37-44(38-36-43)46-21-14-22-47(41-46)69-55-30-11-7-25-51(55)63-60(69)39-40-61-64(63)52-26-8-12-31-56(52)70(61)58-33-16-34-59-62(58)50-24-6-13-32-57(50)71(59)66-65(67-53-28-9-10-29-54(53)68-66)49-27-15-20-45-19-4-5-23-48(45)49;1-63(2)47-25-9-5-20-41(47)46-37-39(33-34-48(46)63)66-51-28-12-7-22-44(51)59-56(66)35-36-57-60(59)45-23-8-13-29-52(45)67(57)54-31-16-32-55-58(54)43-21-6-14-30-53(43)68(55)62-61(64-49-26-10-11-27-50(49)65-62)42-24-15-18-38-17-3-4-19-40(38)42;1-3-20-38-36(16-1)18-13-25-40(38)57-58(60-45-27-9-8-26-44(45)59-57)63-49-30-12-5-22-41(49)54-50(32-15-33-51(54)63)62-48-29-11-7-24-43(48)56-53(62)35-34-52-55(56)42-23-6-10-28-47(42)61(52)46-31-14-19-37-17-2-4-21-39(37)46;1-2-17-38-35-39(32-31-36(38)15-1)61-47-26-10-6-21-43(47)55-52(61)33-34-53-56(55)44-22-7-11-27-48(44)62(53)50-29-14-30-51-54(50)42-20-5-12-28-49(42)63(51)58-57(59-45-24-8-9-25-46(45)60-58)41-23-13-18-37-16-3-4-19-40(37)41;1-2-16-37(17-3-1)57-46-24-12-7-19-41(46)51-48(57)30-31-49-52(51)42-20-8-13-25-47(42)58(49)38-28-29-40-39-18-6-11-23-45(39)59(50(40)33-38)54-53(55-43-21-9-10-22-44(43)56-54)36-27-26-34-14-4-5-15-35(34)32-36/h1-41H;3-37H,1-2H3;2*1-35H;1-33H
InChIKeyGXVIODIYZADSSB-UHFFFAOYSA-N
MW4127.94 g/mol
LogP76.65
Rot. Bonds22

About 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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 (PubChem CID 158398649) has the molecular formula C299H185N25 and a molecular weight of 4127.94 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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
PubChem CID158398649
Molecular FormulaC299H185N25
Molecular Weight4127.94 g/mol
Exact Mass4124.52
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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
SMILESCC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc7ccccc7nc6-c6cccc7ccccc67)c5ccc43)ccc21.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8c7c7ccccc7n8-c7nc8ccccc8nc7-c7cccc8ccccc78)c6ccc54)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c7ccccc7n(-c7nc8ccccc8nc7-c7ccc8ccccc8c7)c6c5)c4ccc32)cc1.c1ccc2c(-c3nc4ccccc4nc3-n3c4ccccc4c4c(-n5c6ccccc6c6c7c8ccccc8n(-c8cccc9ccccc89)c7ccc65)cccc43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc7ccccc7nc6-c6cccc7ccccc67)c5ccc43)ccc2c1
InChIInChI=1S/C66H41N5.C63H41N5.2C58H35N5.C54H33N5/c1-2-17-42(18-3-1)43-35-37-44(38-36-43)46-21-14-22-47(41-46)69-55-30-11-7-25-51(55)63-60(69)39-40-61-64(63)52-26-8-12-31-56(52)70(61)58-33-16-34-59-62(58)50-24-6-13-32-57(50)71(59)66-65(67-53-28-9-10-29-54(53)68-66)49-27-15-20-45-19-4-5-23-48(45)49;1-63(2)47-25-9-5-20-41(47)46-37-39(33-34-48(46)63)66-51-28-12-7-22-44(51)59-56(66)35-36-57-60(59)45-23-8-13-29-52(45)67(57)54-31-16-32-55-58(54)43-21-6-14-30-53(43)68(55)62-61(64-49-26-10-11-27-50(49)65-62)42-24-15-18-38-17-3-4-19-40(38)42;1-3-20-38-36(16-1)18-13-25-40(38)57-58(60-45-27-9-8-26-44(45)59-57)63-49-30-12-5-22-41(49)54-50(32-15-33-51(54)63)62-48-29-11-7-24-43(48)56-53(62)35-34-52-55(56)42-23-6-10-28-47(42)61(52)46-31-14-19-37-17-2-4-21-39(37)46;1-2-17-38-35-39(32-31-36(38)15-1)61-47-26-10-6-21-43(47)55-52(61)33-34-53-56(55)44-22-7-11-27-48(44)62(53)50-29-14-30-51-54(50)42-20-5-12-28-49(42)63(51)58-57(59-45-24-8-9-25-46(45)60-58)41-23-13-18-37-16-3-4-19-40(37)41;1-2-16-37(17-3-1)57-46-24-12-7-19-41(46)51-48(57)30-31-49-52(51)42-20-8-13-25-47(42)58(49)38-28-29-40-39-18-6-11-23-45(39)59(50(40)33-38)54-53(55-43-21-9-10-22-44(43)56-54)36-27-26-34-14-4-5-15-35(34)32-36/h1-41H;3-37H,1-2H3;2*1-35H;1-33H
InChIKeyGXVIODIYZADSSB-UHFFFAOYSA-N
XLogP76.65
TPSA202.85 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms324
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004127.94
LogP ≤ 576.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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 (CID 158398649) is 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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 is CC1(C)c2ccccc2-c2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc7ccccc7nc6-c6cccc7ccccc67)c5ccc43)ccc21.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc8c7c7ccccc7n8-c7nc8ccccc8nc7-c7cccc8ccccc78)c6ccc54)c3)cc2)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6c7ccccc7n(-c7nc8ccccc8nc7-c7ccc8ccccc8c7)c6c5)c4ccc32)cc1.c1ccc2c(-c3nc4ccccc4nc3-n3c4ccccc4c4c(-n5c6ccccc6c6c7c8ccccc8n(-c8cccc9ccccc89)c7ccc65)cccc43)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc7c6c6ccccc6n7-c6nc7ccccc7nc6-c6cccc7ccccc67)c5ccc43)ccc2c1.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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?
The InChIKey is GXVIODIYZADSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N5.C63H41N5.2C58H35N5.C54H33N5/c1-2-17-42(18-3-1)43-35-37-44(38-36-43)46-21-14-22-47(41-46)69-55-30-11-7-25-51(55)63-60(69)39-40-61-64(63)52-26-8-12-31-56(52)70(61)58-33-16-34-59-62(58)50-24-6-13-32-57(50)71(59)66-65(67-53-28-9-10-29-54(53)68-66)49-27-15-20-45-19-4-5-23-48(45)49;1-63(2)47-25-9-5-20-41(47)46-37-39(33-34-48(46)63)66-51-28-12-7-22-44(51)59-56(66)35-36-57-60(59)45-23-8-13-29-52(45)67(57)54-31-16-32-55-58(54)43-21-6-14-30-53(43)68(55)62-61(64-49-26-10-11-27-50(49)65-62)42-24-15-18-38-17-3-4-19-40(38)42;1-3-20-38-36(16-1)18-13-25-40(38)57-58(60-45-27-9-8-26-44(45)59-57)63-49-30-12-5-22-41(49)54-50(32-15-33-51(54)63)62-48-29-11-7-24-43(48)56-53(62)35-34-52-55(56)42-23-6-10-28-47(42)61(52)46-31-14-19-37-17-2-4-21-39(37)46;1-2-17-38-35-39(32-31-36(38)15-1)61-47-26-10-6-21-43(47)55-52(61)33-34-53-56(55)44-22-7-11-27-48(44)62(53)50-29-14-30-51-54(50)42-20-5-12-28-49(42)63(51)58-57(59-45-24-8-9-25-46(45)60-58)41-23-13-18-37-16-3-4-19-40(37)41;1-2-16-37(17-3-1)57-46-24-12-7-19-41(46)51-48(57)30-31-49-52(51)42-20-8-13-25-47(42)58(49)38-28-29-40-39-18-6-11-23-45(39)59(50(40)33-38)54-53(55-43-21-9-10-22-44(43)56-54)36-27-26-34-14-4-5-15-35(34)32-36/h1-41H;3-37H,1-2H3;2*1-35H;1-33H.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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 has a molecular weight of 4127.94 g/mol, XLogP of 76.65, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-1-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-naphthalen-2-yl-14-[9-(3-naphthalen-1-ylquinoxalin-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-(3-naphthalen-2-ylquinoxalin-2-yl)carbazol-2-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-(3-naphthalen-1-ylquinoxalin-2-yl)carbazol-4-yl]-14-[3-(4-phenylphenyl)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 is sourced from PubChem (CID 158398649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).