6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene

C304H216N8 — CID 159674094

IUPAC6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
SMILESCc1c(C)n(-c2c3ccccc3cc3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6c7ccccc7cc7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2cc3ccccc3c3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6cc7ccccc7c7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc4c(-c4ccc5ccccc5c4)c3cc12
InChIInChI=1S/C92H64N2.C72H56N2.2C70H48N2/c1-57-59(3)93(71-45-47-75-73-37-21-23-39-83(73)91(85(75)51-71,67-29-9-5-10-30-67)68-31-11-6-12-32-68)87-55-81-79(53-77(57)87)89(65-43-41-61-25-17-19-27-63(61)49-65)82-56-88-78(54-80(82)90(81)66-44-42-62-26-18-20-28-64(62)50-66)58(2)60(4)94(88)72-46-48-76-74-38-22-24-40-84(74)92(86(76)52-72,69-33-13-7-14-34-69)70-35-15-8-16-36-70;1-41-43(3)73(51-29-31-55-53-21-13-15-23-63(53)71(5,6)65(55)35-51)67-39-61-59(37-57(41)67)69(49-27-25-45-17-9-11-19-47(45)33-49)62-40-68-58(38-60(62)70(61)50-28-26-46-18-10-12-20-48(46)34-50)42(2)44(4)74(68)52-30-32-56-54-22-14-16-24-64(54)72(7,8)66(56)36-52;1-41-43(3)71(69-55-25-13-9-21-49(55)35-50-22-10-14-26-56(50)69)65-39-63-61(37-59(41)65)67(53-31-29-45-17-5-7-19-47(45)33-53)64-40-66-60(38-62(64)68(63)54-32-30-46-18-6-8-20-48(46)34-54)42(2)44(4)72(66)70-57-27-15-11-23-51(57)36-52-24-12-16-28-58(52)70;1-41-43(3)71(65-35-49-21-9-11-23-53(49)55-25-13-15-27-57(55)65)67-39-63-61(37-59(41)67)69(51-31-29-45-17-5-7-19-47(45)33-51)64-40-68-60(38-62(64)70(63)52-32-30-46-18-6-8-20-48(46)34-52)42(2)44(4)72(68)66-36-50-22-10-12-24-54(50)56-26-14-16-28-58(56)66/h5-56H,1-4H3;9-40H,1-8H3;2*5-40H,1-4H3
InChIKeyMUJIUBNSBXMIEK-UHFFFAOYSA-N
MW3981.13 g/mol
LogP81.58
Rot. Bonds20

About 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene

6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene (PubChem CID 159674094) has the molecular formula C304H216N8 and a molecular weight of 3981.13 g/mol. Its IUPAC name is 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene.

Molecular Properties

Compound Name6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
PubChem CID159674094
Molecular FormulaC304H216N8
Molecular Weight3981.13 g/mol
Exact Mass3977.71
IUPAC Name6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
SMILESCc1c(C)n(-c2c3ccccc3cc3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6c7ccccc7cc7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2cc3ccccc3c3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6cc7ccccc7c7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc4c(-c4ccc5ccccc5c4)c3cc12
InChIInChI=1S/C92H64N2.C72H56N2.2C70H48N2/c1-57-59(3)93(71-45-47-75-73-37-21-23-39-83(73)91(85(75)51-71,67-29-9-5-10-30-67)68-31-11-6-12-32-68)87-55-81-79(53-77(57)87)89(65-43-41-61-25-17-19-27-63(61)49-65)82-56-88-78(54-80(82)90(81)66-44-42-62-26-18-20-28-64(62)50-66)58(2)60(4)94(88)72-46-48-76-74-38-22-24-40-84(74)92(86(76)52-72,69-33-13-7-14-34-69)70-35-15-8-16-36-70;1-41-43(3)73(51-29-31-55-53-21-13-15-23-63(53)71(5,6)65(55)35-51)67-39-61-59(37-57(41)67)69(49-27-25-45-17-9-11-19-47(45)33-49)62-40-68-58(38-60(62)70(61)50-28-26-46-18-10-12-20-48(46)34-50)42(2)44(4)74(68)52-30-32-56-54-22-14-16-24-64(54)72(7,8)66(56)36-52;1-41-43(3)71(69-55-25-13-9-21-49(55)35-50-22-10-14-26-56(50)69)65-39-63-61(37-59(41)65)67(53-31-29-45-17-5-7-19-47(45)33-53)64-40-66-60(38-62(64)68(63)54-32-30-46-18-6-8-20-48(46)34-54)42(2)44(4)72(66)70-57-27-15-11-23-51(57)36-52-24-12-16-28-58(52)70;1-41-43(3)71(65-35-49-21-9-11-23-53(49)55-25-13-15-27-57(55)65)67-39-63-61(37-59(41)67)69(51-31-29-45-17-5-7-19-47(45)33-51)64-40-68-60(38-62(64)70(63)52-32-30-46-18-6-8-20-48(46)34-52)42(2)44(4)72(68)66-36-50-22-10-12-24-54(50)56-26-14-16-28-58(56)66/h5-56H,1-4H3;9-40H,1-8H3;2*5-40H,1-4H3
InChIKeyMUJIUBNSBXMIEK-UHFFFAOYSA-N
XLogP81.58
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms312
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003981.13
LogP ≤ 581.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene with MolForge

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59195354
3-(9,9-dimethylfluoren-2-yl)-9,10-dimethyl-8-(4-naphthalen-2-ylnaphthalen-1-yl)naphtho[1,2-f]indole
CID 58175245
2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131816
6,16-di(anthracen-2-yl)-2,12-ditert-butyl-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene;6,16-di(anthracen-9-yl)-2,12-ditert-butyl-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene;2,12-ditert-butyl-6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene;2,12-ditert-butyl-6,16-di(phenanthren-9-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 158001475
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
11-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-naphthalen-2-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-3-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenanthren-3-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-triphenylen-2-ylindeno[2,1-a]carbazole;11-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12-(9,9-diphenylfluoren-2-yl)-11-phenylindolo[2,3-a]carbazole;12-phenanthren-3-yl-11-phenylindolo[2,3-a]carbazole
CID 159314295
3,12-bis(9,9-dimethylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;3-(9,9-diphenylfluoren-2-yl)-4,5-dimethyl-12-(10-naphthalen-1-ylanthracen-9-yl)-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene;12-(4-naphthalen-1-ylphenyl)-3-phenanthren-2-yl-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11,13,15(19),16-nonaene
CID 157106593
2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(4-naphthalen-2-ylnaphthalen-1-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
CID 58131886
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
5-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;12,12-dimethyl-5-(3-naphthalen-2-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(3-phenanthren-3-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[1,2-c]carbazole;5-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole
CID 157484396
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067

Frequently Asked Questions

What is the IUPAC name of 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The IUPAC name of 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene (CID 159674094) is 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene.
What is the SMILES notation for 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The canonical SMILES for 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene is Cc1c(C)n(-c2c3ccccc3cc3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6c7ccccc7cc7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2cc3ccccc3c3ccccc23)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6cc7ccccc7c7ccccc67)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c5cc4c(-c4ccc5ccccc5c4)c3cc12.Cc1c(C)n(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cc3c(-c4ccc5ccccc5c4)c4cc5c(C)c(C)n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc4c(-c4ccc5ccccc5c4)c3cc12.
What is the InChIKey of 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
The InChIKey is MUJIUBNSBXMIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H64N2.C72H56N2.2C70H48N2/c1-57-59(3)93(71-45-47-75-73-37-21-23-39-83(73)91(85(75)51-71,67-29-9-5-10-30-67)68-31-11-6-12-32-68)87-55-81-79(53-77(57)87)89(65-43-41-61-25-17-19-27-63(61)49-65)82-56-88-78(54-80(82)90(81)66-44-42-62-26-18-20-28-64(62)50-66)58(2)60(4)94(88)72-46-48-76-74-38-22-24-40-84(74)92(86(76)52-72,69-33-13-7-14-34-69)70-35-15-8-16-36-70;1-41-43(3)73(51-29-31-55-53-21-13-15-23-63(53)71(5,6)65(55)35-51)67-39-61-59(37-57(41)67)69(49-27-25-45-17-9-11-19-47(45)33-49)62-40-68-58(38-60(62)70(61)50-28-26-46-18-10-12-20-48(46)34-50)42(2)44(4)74(68)52-30-32-56-54-22-14-16-24-64(54)72(7,8)66(56)36-52;1-41-43(3)71(69-55-25-13-9-21-49(55)35-50-22-10-14-26-56(50)69)65-39-63-61(37-59(41)65)67(53-31-29-45-17-5-7-19-47(45)33-53)64-40-66-60(38-62(64)68(63)54-32-30-46-18-6-8-20-48(46)34-54)42(2)44(4)72(66)70-57-27-15-11-23-51(57)36-52-24-12-16-28-58(52)70;1-41-43(3)71(65-35-49-21-9-11-23-53(49)55-25-13-15-27-57(55)65)67-39-63-61(37-59(41)67)69(51-31-29-45-17-5-7-19-47(45)33-51)64-40-68-60(38-62(64)70(63)52-32-30-46-18-6-8-20-48(46)34-52)42(2)44(4)72(68)66-36-50-22-10-12-24-54(50)56-26-14-16-28-58(56)66/h5-56H,1-4H3;9-40H,1-8H3;2*5-40H,1-4H3.
What are the key properties of 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene?
6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene has a molecular weight of 3981.13 g/mol, XLogP of 81.58, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;6,16-di(anthracen-9-yl)-7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene;7,8,17,18-tetramethyl-2,12-dinaphthalen-2-yl-6,16-di(phenanthren-9-yl)-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene is sourced from PubChem (CID 159674094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).