3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline

C370H254N12O — CID 159179765

IUPAC3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc4c(c5ccccc35)c3c5ccccc5ccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.c1ccc(N(c2cccc(-c3ccc4c5cc6ccccc6cc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c6ccccc6ccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5ccc6ccccc6c5n(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C65H46N2.2C63H42N2.C61H44N2O.2C59H40N2/c1-43-28-33-49(34-29-43)66(50-35-30-44(2)31-36-50)51-22-15-17-46(40-51)58-42-62-64(57-26-12-11-24-54(57)58)63-53-23-10-9-16-45(53)32-39-61(63)67(62)52-37-38-56-55-25-13-14-27-59(55)65(60(56)41-52,47-18-5-3-6-19-47)48-20-7-4-8-21-48;1-5-21-45(22-6-1)63(46-23-7-2-8-24-46)58-35-18-17-32-53(58)57-42-50(37-39-59(57)63)65-60-41-44(36-38-56(60)61-54-33-15-13-30-51(54)52-31-14-16-34-55(52)62(61)65)43-20-19-29-49(40-43)64(47-25-9-3-10-26-47)48-27-11-4-12-28-48;1-4-23-48(24-5-1)63(49-25-6-2-7-26-49)58-32-15-14-31-54(58)55-37-35-52(42-59(55)63)65-61-41-47(34-36-56(61)57-39-45-19-10-11-20-46(45)40-62(57)65)44-22-16-29-51(38-44)64(50-27-8-3-9-28-50)60-33-17-21-43-18-12-13-30-53(43)60;1-41-28-30-45(31-29-41)62(46-32-35-49(64-2)36-33-46)47-21-15-16-42(38-47)55-40-59-60(53-24-10-9-22-50(53)55)54-25-12-14-27-58(54)63(59)48-34-37-52-51-23-11-13-26-56(51)61(57(52)39-48,43-17-5-3-6-18-43)44-19-7-4-8-20-44;1-5-20-44(21-6-1)59(45-22-7-2-8-23-45)55-31-16-15-30-51(55)54-40-49(34-37-56(54)59)61-57-39-43(33-35-52(57)53-36-32-41-18-13-14-29-50(41)58(53)61)42-19-17-28-48(38-42)60(46-24-9-3-10-25-46)47-26-11-4-12-27-47;1-5-20-44(21-6-1)59(45-22-7-2-8-23-45)54-31-16-15-30-51(54)52-36-34-49(40-55(52)59)61-56-37-33-41-18-13-14-29-50(41)58(56)53-35-32-43(39-57(53)61)42-19-17-28-48(38-42)60(46-24-9-3-10-25-46)47-26-11-4-12-27-47/h3-42H,1-2H3;2*1-42H;3-40H,1-2H3;2*1-40H
InChIKeyKMSWKYNZHLIUDL-UHFFFAOYSA-N
MW4884.18 g/mol
LogP97.01
Rot. Bonds43

About 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline

3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline (PubChem CID 159179765) has the molecular formula C370H254N12O and a molecular weight of 4884.18 g/mol. Its IUPAC name is 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline
PubChem CID159179765
Molecular FormulaC370H254N12O
Molecular Weight4884.18 g/mol
Exact Mass4880.02
IUPAC Name3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc4c(c5ccccc35)c3c5ccccc5ccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.c1ccc(N(c2cccc(-c3ccc4c5cc6ccccc6cc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c6ccccc6ccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5ccc6ccccc6c5n(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C65H46N2.2C63H42N2.C61H44N2O.2C59H40N2/c1-43-28-33-49(34-29-43)66(50-35-30-44(2)31-36-50)51-22-15-17-46(40-51)58-42-62-64(57-26-12-11-24-54(57)58)63-53-23-10-9-16-45(53)32-39-61(63)67(62)52-37-38-56-55-25-13-14-27-59(55)65(60(56)41-52,47-18-5-3-6-19-47)48-20-7-4-8-21-48;1-5-21-45(22-6-1)63(46-23-7-2-8-24-46)58-35-18-17-32-53(58)57-42-50(37-39-59(57)63)65-60-41-44(36-38-56(60)61-54-33-15-13-30-51(54)52-31-14-16-34-55(52)62(61)65)43-20-19-29-49(40-43)64(47-25-9-3-10-26-47)48-27-11-4-12-28-48;1-4-23-48(24-5-1)63(49-25-6-2-7-26-49)58-32-15-14-31-54(58)55-37-35-52(42-59(55)63)65-61-41-47(34-36-56(61)57-39-45-19-10-11-20-46(45)40-62(57)65)44-22-16-29-51(38-44)64(50-27-8-3-9-28-50)60-33-17-21-43-18-12-13-30-53(43)60;1-41-28-30-45(31-29-41)62(46-32-35-49(64-2)36-33-46)47-21-15-16-42(38-47)55-40-59-60(53-24-10-9-22-50(53)55)54-25-12-14-27-58(54)63(59)48-34-37-52-51-23-11-13-26-56(51)61(57(52)39-48,43-17-5-3-6-18-43)44-19-7-4-8-20-44;1-5-20-44(21-6-1)59(45-22-7-2-8-23-45)55-31-16-15-30-51(55)54-40-49(34-37-56(54)59)61-57-39-43(33-35-52(57)53-36-32-41-18-13-14-29-50(41)58(53)61)42-19-17-28-48(38-42)60(46-24-9-3-10-25-46)47-26-11-4-12-27-47;1-5-20-44(21-6-1)59(45-22-7-2-8-23-45)54-31-16-15-30-51(54)52-36-34-49(40-55(52)59)61-56-37-33-41-18-13-14-29-50(41)58(56)53-35-32-43(39-57(53)61)42-19-17-28-48(38-42)60(46-24-9-3-10-25-46)47-26-11-4-12-27-47/h3-42H,1-2H3;2*1-42H;3-40H,1-2H3;2*1-40H
InChIKeyKMSWKYNZHLIUDL-UHFFFAOYSA-N
XLogP97.01
TPSA58.25 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds43
Heavy Atoms383
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004884.18
LogP ≤ 597.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

2-[4-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-bis(4-methylphenyl)aniline;2-[4-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[4-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]-N,N-diphenylaniline;2-[4-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]phenyl]-N,N-diphenylaniline;N-[2-[4-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[4-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]phenyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 158055047
2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-bis(4-methylphenyl)aniline;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 161194326
2-[7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-diphenylaniline
CID 159485545
3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline
CID 118349428
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 161145523
2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]-N,N-bis(3-phenylphenyl)aniline;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161069792
2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline
CID 118349404
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylphenanthren-1-amine
CID 160822695
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 129085062

Frequently Asked Questions

What is the IUPAC name of 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline?
The IUPAC name of 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline (CID 159179765) is 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline is COc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc4c(c5ccccc35)c3ccccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3cc4c(c5ccccc35)c3c5ccccc5ccc3n4-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.c1ccc(N(c2cccc(-c3ccc4c5cc6ccccc6cc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5c6ccccc6ccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c3)c2)cc1.c1ccc(N(c2ccccc2)c2cccc(-c3ccc4c5ccc6ccccc6c5n(-c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline?
The InChIKey is KMSWKYNZHLIUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N2.2C63H42N2.C61H44N2O.2C59H40N2/c1-43-28-33-49(34-29-43)66(50-35-30-44(2)31-36-50)51-22-15-17-46(40-51)58-42-62-64(57-26-12-11-24-54(57)58)63-53-23-10-9-16-45(53)32-39-61(63)67(62)52-37-38-56-55-25-13-14-27-59(55)65(60(56)41-52,47-18-5-3-6-19-47)48-20-7-4-8-21-48;1-5-21-45(22-6-1)63(46-23-7-2-8-24-46)58-35-18-17-32-53(58)57-42-50(37-39-59(57)63)65-60-41-44(36-38-56(60)61-54-33-15-13-30-51(54)52-31-14-16-34-55(52)62(61)65)43-20-19-29-49(40-43)64(47-25-9-3-10-26-47)48-27-11-4-12-28-48;1-4-23-48(24-5-1)63(49-25-6-2-7-26-49)58-32-15-14-31-54(58)55-37-35-52(42-59(55)63)65-61-41-47(34-36-56(61)57-39-45-19-10-11-20-46(45)40-62(57)65)44-22-16-29-51(38-44)64(50-27-8-3-9-28-50)60-33-17-21-43-18-12-13-30-53(43)60;1-41-28-30-45(31-29-41)62(46-32-35-49(64-2)36-33-46)47-21-15-16-42(38-47)55-40-59-60(53-24-10-9-22-50(53)55)54-25-12-14-27-58(54)63(59)48-34-37-52-51-23-11-13-26-56(51)61(57(52)39-48,43-17-5-3-6-18-43)44-19-7-4-8-20-44;1-5-20-44(21-6-1)59(45-22-7-2-8-23-45)55-31-16-15-30-51(55)54-40-49(34-37-56(54)59)61-57-39-43(33-35-52(57)53-36-32-41-18-13-14-29-50(41)58(53)61)42-19-17-28-48(38-42)60(46-24-9-3-10-25-46)47-26-11-4-12-27-47;1-5-20-44(21-6-1)59(45-22-7-2-8-23-45)54-31-16-15-30-51(54)52-36-34-49(40-55(52)59)61-56-37-33-41-18-13-14-29-50(41)58(56)53-35-32-43(39-57(53)61)42-19-17-28-48(38-42)60(46-24-9-3-10-25-46)47-26-11-4-12-27-47/h3-42H,1-2H3;2*1-42H;3-40H,1-2H3;2*1-40H.
What are the key properties of 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline?
3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline has a molecular weight of 4884.18 g/mol, XLogP of 97.01, 43 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline;3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline;3-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline;N-[3-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;3-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline;3-[7-(9,9-diphenylfluoren-2-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 159179765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).