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

C207H144N6O2 — CID 161194326

About 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

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 (PubChem CID 161194326) has the molecular formula C207H144N6O2 and a molecular weight of 2747.47 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161194326
• Molecular Formula: C207H144N6O2
• Molecular Weight: 2747.47 g/mol
• Exact Mass: 2745.14
• IUPAC Name: 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
• SMILES: COc1ccc(N(c2ccc(OC)cc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2c4ccccc4ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
• InChI: InChI=1S/C71H50N2.C69H46N2.C67H48N2O2/c1-47-33-38-52(39-34-47)72(53-40-35-48(2)36-41-53)66-32-18-16-29-61(66)56-25-11-12-26-57(56)63-46-68-70(62-30-14-13-27-58(62)63)69-55-24-10-9-19-49(55)37-44-67(69)73(68)54-42-43-60-59-28-15-17-31-64(59)71(65(60)45-54,50-20-5-3-6-21-50)51-22-7-4-8-23-51;1-5-25-49(26-6-1)69(50-27-7-2-8-28-50)63-39-21-19-36-57(63)58-42-41-53(45-64(58)69)71-66-44-48-24-14-13-23-47(48)43-62(66)68-60-38-18-17-35-56(60)61(46-67(68)71)55-34-16-15-33-54(55)59-37-20-22-40-65(59)70(51-29-9-3-10-30-51)52-31-11-4-12-32-52;1-70-50-38-33-47(34-39-50)68(48-35-40-51(71-2)41-36-48)63-31-17-14-27-57(63)52-23-9-10-24-53(52)60-44-65-66(58-28-12-11-25-54(58)60)59-29-15-18-32-64(59)69(65)49-37-42-56-55-26-13-16-30-61(55)67(62(56)43-49,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h3-46H,1-2H3;1-46H;3-44H,1-2H3
• InChIKey: UUDLBJKANABZRJ-UHFFFAOYSA-N
• XLogP: 54.25
• TPSA: 42.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2747.47
LogP ≤ 5	54.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1ccc(N(c2ccc(OC)cc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2ccccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2c4ccccc4ccc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.

What is the InChIKey of 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?

The InChIKey is UUDLBJKANABZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N2.C69H46N2.C67H48N2O2/c1-47-33-38-52(39-34-47)72(53-40-35-48(2)36-41-53)66-32-18-16-29-61(66)56-25-11-12-26-57(56)63-46-68-70(62-30-14-13-27-58(62)63)69-55-24-10-9-19-49(55)37-44-67(69)73(68)54-42-43-60-59-28-15-17-31-64(59)71(65(60)45-54,50-20-5-3-6-21-50)51-22-7-4-8-23-51;1-5-25-49(26-6-1)69(50-27-7-2-8-28-50)63-39-21-19-36-57(63)58-42-41-53(45-64(58)69)71-66-44-48-24-14-13-23-47(48)43-62(66)68-60-38-18-17-35-56(60)61(46-67(68)71)55-34-16-15-33-54(55)59-37-20-22-40-65(59)70(51-29-9-3-10-30-51)52-31-11-4-12-32-52;1-70-50-38-33-47(34-39-50)68(48-35-40-51(71-2)41-36-48)63-31-17-14-27-57(63)52-23-9-10-24-53(52)60-44-65-66(58-28-12-11-25-54(58)60)59-29-15-18-32-64(59)69(65)49-37-42-56-55-26-13-16-30-61(55)67(62(56)43-49,45-19-5-3-6-20-45)46-21-7-4-8-22-46/h3-46H,1-2H3;1-46H;3-44H,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 2747.47 g/mol, XLogP of 54.25, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161194326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).