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

C314H248N8 — CID 158001475

IUPAC6,16-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
SMILESCC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4c5ccccc5cc5ccccc45)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4c5ccccc5cc5ccccc45)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4cc5ccccc5c5ccccc45)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4cc5ccccc5c5ccccc45)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5cc6ccccc6cc5c4)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5cc6ccccc6cc5c4)c3cc12
InChIInChI=1S/C80H68N2.3C78H60N2/c1-77(2,3)73-59-45-63-70(82(75(51-31-19-13-20-32-51)71(63)49-27-15-11-16-28-49)54-40-42-58-56-36-24-26-38-66(56)80(9,10)68(58)44-54)48-62(59)74(78(4,5)6)60-46-64-69(47-61(60)73)81(76(52-33-21-14-22-34-52)72(64)50-29-17-12-18-30-50)53-39-41-57-55-35-23-25-37-65(55)79(7,8)67(57)43-53;1-77(2,3)71-61-45-65-68(80(73(51-31-15-9-16-32-51)69(65)49-27-11-7-12-28-49)76-59-41-25-21-37-55(59)44-56-38-22-26-42-60(56)76)48-64(61)72(78(4,5)6)62-46-66-67(47-63(62)71)79(74(52-33-17-10-18-34-52)70(66)50-29-13-8-14-30-50)75-57-39-23-19-35-53(57)43-54-36-20-24-40-58(54)75;1-77(2,3)73-61-45-65-70(80(68-44-54-36-20-22-38-56(54)58-40-24-26-42-60(58)68)75(51-31-15-9-16-32-51)71(65)49-27-11-7-12-28-49)48-64(61)74(78(4,5)6)62-46-66-69(47-63(62)73)79(67-43-53-35-19-21-37-55(53)57-39-23-25-41-59(57)67)76(52-33-17-10-18-34-52)72(66)50-29-13-8-14-30-50;1-77(2,3)73-63-45-67-70(80(62-38-36-58-40-54-32-20-22-34-56(54)42-60(58)44-62)75(51-27-15-9-16-28-51)71(67)49-23-11-7-12-24-49)48-66(63)74(78(4,5)6)64-46-68-69(47-65(64)73)79(61-37-35-57-39-53-31-19-21-33-55(53)41-59(57)43-61)76(52-29-17-10-18-30-52)72(68)50-25-13-8-14-26-50/h11-48H,1-10H3;3*7-48H,1-6H3
InChIKeyFDUCWDIJNMVRKI-UHFFFAOYSA-N
MW4133.49 g/mol
LogP87.03
Rot. Bonds24

About 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

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 (PubChem CID 158001475) has the molecular formula C314H248N8 and a molecular weight of 4133.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,16-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
PubChem CID158001475
Molecular FormulaC314H248N8
Molecular Weight4133.49 g/mol
Exact Mass4129.97
IUPAC Name6,16-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
SMILESCC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4c5ccccc5cc5ccccc45)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4c5ccccc5cc5ccccc45)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4cc5ccccc5c5ccccc45)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4cc5ccccc5c5ccccc45)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5cc6ccccc6cc5c4)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5cc6ccccc6cc5c4)c3cc12
InChIInChI=1S/C80H68N2.3C78H60N2/c1-77(2,3)73-59-45-63-70(82(75(51-31-19-13-20-32-51)71(63)49-27-15-11-16-28-49)54-40-42-58-56-36-24-26-38-66(56)80(9,10)68(58)44-54)48-62(59)74(78(4,5)6)60-46-64-69(47-61(60)73)81(76(52-33-21-14-22-34-52)72(64)50-29-17-12-18-30-50)53-39-41-57-55-35-23-25-37-65(55)79(7,8)67(57)43-53;1-77(2,3)71-61-45-65-68(80(73(51-31-15-9-16-32-51)69(65)49-27-11-7-12-28-49)76-59-41-25-21-37-55(59)44-56-38-22-26-42-60(56)76)48-64(61)72(78(4,5)6)62-46-66-67(47-63(62)71)79(74(52-33-17-10-18-34-52)70(66)50-29-13-8-14-30-50)75-57-39-23-19-35-53(57)43-54-36-20-24-40-58(54)75;1-77(2,3)73-61-45-65-70(80(68-44-54-36-20-22-38-56(54)58-40-24-26-42-60(58)68)75(51-31-15-9-16-32-51)71(65)49-27-11-7-12-28-49)48-64(61)74(78(4,5)6)62-46-66-69(47-63(62)73)79(67-43-53-35-19-21-37-55(53)57-39-23-25-41-59(57)67)76(52-33-17-10-18-34-52)72(66)50-29-13-8-14-30-50;1-77(2,3)73-63-45-67-70(80(62-38-36-58-40-54-32-20-22-34-56(54)42-60(58)44-62)75(51-27-15-9-16-28-51)71(67)49-23-11-7-12-24-49)48-66(63)74(78(4,5)6)64-46-68-69(47-65(64)73)79(61-37-35-57-39-53-31-19-21-33-55(53)41-59(57)43-61)76(52-29-17-10-18-30-52)72(68)50-25-13-8-14-26-50/h11-48H,1-10H3;3*7-48H,1-6H3
InChIKeyFDUCWDIJNMVRKI-UHFFFAOYSA-N
XLogP87.03
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms322
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004133.49
LogP ≤ 587.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-2,3,5,10-tetraphenylnaphtho[2,3-f]indole
CID 58161278
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
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
2,12-bis(9,9-dimethylfluoren-2-yl)-6,7,8,16,17,18-hexakis-phenyl-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 58131870
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
1-[2,7-bis(4-tert-butylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[2,7-bis(4-phenylphenyl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[9,10-ditert-butyl-6-(2,5-diphenylpyrrol-1-yl)anthracen-2-yl]-2,5-diphenylpyrrole;1-[2,7-di(phenanthren-9-yl)anthracen-9-yl]-2,5-diphenylpyrrole;1-[6-(2,5-diphenylpyrrol-1-yl)-9,10-dimethylanthracen-2-yl]-2,5-diphenylpyrrole
CID 159033487
N-[4-(9,9-dimethyl-1-naphthalen-2-yl-2,3-diphenylindeno[1,2-f]indol-7-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58131686
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-naphthalen-2-yl-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenanthren-9-yl-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 163837181
32-(9,9-dimethylfluoren-2-yl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-phenanthren-9-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene;28,28-dimethyl-32-(9-phenylcarbazol-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 157189831
2,12-bis(9,9-dimethylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-di(pyren-1-yl)-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 58131786
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-phenylcarbazole
CID 158224432
1-[4-[7-[2,3-bis(4-tert-butylphenyl)indol-1-yl]-9,9-dimethylfluoren-2-yl]phenyl]-2,3-bis(4-tert-butylphenyl)indole
CID 138579773

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4c5ccccc5cc5ccccc45)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4c5ccccc5cc5ccccc45)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4cc5ccccc5c5ccccc45)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4cc5ccccc5c5ccccc45)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc12.CC(C)(C)c1c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5cc6ccccc6cc5c4)c3cc2c(C(C)(C)C)c2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc5cc6ccccc6cc5c4)c3cc12.
What is the InChIKey of 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?
The InChIKey is FDUCWDIJNMVRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H68N2.3C78H60N2/c1-77(2,3)73-59-45-63-70(82(75(51-31-19-13-20-32-51)71(63)49-27-15-11-16-28-49)54-40-42-58-56-36-24-26-38-66(56)80(9,10)68(58)44-54)48-62(59)74(78(4,5)6)60-46-64-69(47-61(60)73)81(76(52-33-21-14-22-34-52)72(64)50-29-17-12-18-30-50)53-39-41-57-55-35-23-25-37-65(55)79(7,8)67(57)43-53;1-77(2,3)71-61-45-65-68(80(73(51-31-15-9-16-32-51)69(65)49-27-11-7-12-28-49)76-59-41-25-21-37-55(59)44-56-38-22-26-42-60(56)76)48-64(61)72(78(4,5)6)62-46-66-67(47-63(62)71)79(74(52-33-17-10-18-34-52)70(66)50-29-13-8-14-30-50)75-57-39-23-19-35-53(57)43-54-36-20-24-40-58(54)75;1-77(2,3)73-61-45-65-70(80(68-44-54-36-20-22-38-56(54)58-40-24-26-42-60(58)68)75(51-31-15-9-16-32-51)71(65)49-27-11-7-12-28-49)48-64(61)74(78(4,5)6)62-46-66-69(47-63(62)73)79(67-43-53-35-19-21-37-55(53)57-39-23-25-41-59(57)67)76(52-33-17-10-18-34-52)72(66)50-29-13-8-14-30-50;1-77(2,3)73-63-45-67-70(80(62-38-36-58-40-54-32-20-22-34-56(54)42-60(58)44-62)75(51-27-15-9-16-28-51)71(67)49-23-11-7-12-24-49)48-66(63)74(78(4,5)6)64-46-68-69(47-65(64)73)79(61-37-35-57-39-53-31-19-21-33-55(53)41-59(57)43-61)76(52-29-17-10-18-30-52)72(68)50-25-13-8-14-26-50/h11-48H,1-10H3;3*7-48H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 4133.49 g/mol, XLogP of 87.03, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158001475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).