2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile

C310H160F18N26O4S2 — CID 159811024

About 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile

2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile (PubChem CID 159811024) has the molecular formula C310H160F18N26O4S2 and a molecular weight of 4718.97 g/mol. Its IUPAC name is 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile.

Molecular Properties

• Compound Name: 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile
• PubChem CID: 159811024
• Molecular Formula: C310H160F18N26O4S2
• Molecular Weight: 4718.97 g/mol
• Exact Mass: 4715.23
• IUPAC Name: 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile
• SMILES: N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)c(C#N)c(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4)c(C#N)c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(C#N)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4c5c(ccc43)Cc3ccccc3-5)c(C#N)c(-n3c4ccccc4c4c5c(ccc43)Cc3ccccc3-5)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(C#N)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c(C(F)(F)F)c1
• InChI: InChI=1S/2C53H29F3N4.C51H27F3N6.2C51H25F3N4O2.C51H25F3N4S2/c54-53(55,56)42-23-30(28-57)17-20-36(42)35-26-47(59-43-15-7-5-13-39(43)51-45(59)21-18-33-24-31-9-1-3-11-37(31)49(33)51)41(29-58)48(27-35)60-44-16-8-6-14-40(44)52-46(60)22-19-34-25-32-10-2-4-12-38(32)50(34)52;54-53(55,56)34-17-18-35(33(23-34)28-57)32-26-49(59-45-15-7-5-13-40(45)51-42-24-30-9-1-3-11-36(30)38(42)19-21-47(51)59)44(29-58)50(27-32)60-46-16-8-6-14-41(46)52-43-25-31-10-2-4-12-37(31)39(43)20-22-48(52)60;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-45(59-41-15-7-3-11-36(41)47-43(59)21-19-34-32-9-1-5-13-39(32)57-49(34)47)38(27-56)46(25-28)60-42-16-8-4-12-37(42)48-44(60)22-20-35-33-10-2-6-14-40(33)58-50(35)48;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-43(57-39-13-5-1-11-36(39)47-41(57)21-19-34-32-9-3-7-15-45(32)59-49(34)47)38(27-56)44(25-28)58-40-14-6-2-12-37(40)48-42(58)22-20-35-33-10-4-8-16-46(33)60-50(35)48;52-51(53,54)38-23-28(26-55)17-18-30(38)29-24-43(57-39-13-5-1-11-35(39)47-41(57)21-19-33-31-9-3-7-15-45(31)59-49(33)47)37(27-56)44(25-29)58-40-14-6-2-12-36(40)48-42(58)22-20-34-32-10-4-8-16-46(32)60-50(34)48;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-43(57-39-13-5-1-11-36(39)47-41(57)21-19-34-32-9-3-7-15-45(32)59-49(34)47)38(27-56)44(25-28)58-40-14-6-2-12-37(40)48-42(58)22-20-35-33-10-4-8-16-46(33)60-50(35)48/h2*1-23,26-27H,24-25H2;1-25,57-58H;3*1-25H
• InChIKey: NLAGGAMSOHBQQG-UHFFFAOYSA-N
• XLogP: 83.75
• TPSA: 428.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 360
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4718.97
LogP ≤ 5	83.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile?

The IUPAC name of 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile (CID 159811024) is 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile.

What is the SMILES notation for 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile?

The canonical SMILES for 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)c(C#N)c(-n2c3ccccc3c3c4[nH]c5ccccc5c4ccc32)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4)c(C#N)c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(C#N)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1cc(C(F)(F)F)ccc1-c1cc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(C#N)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4c5c(ccc43)Cc3ccccc3-5)c(C#N)c(-n3c4ccccc4c4c5c(ccc43)Cc3ccccc3-5)c2)c(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c(C#N)c(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)c2)c(C(F)(F)F)c1.

What is the InChIKey of 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile?

The InChIKey is NLAGGAMSOHBQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H29F3N4.C51H27F3N6.2C51H25F3N4O2.C51H25F3N4S2/c54-53(55,56)42-23-30(28-57)17-20-36(42)35-26-47(59-43-15-7-5-13-39(43)51-45(59)21-18-33-24-31-9-1-3-11-37(31)49(33)51)41(29-58)48(27-35)60-44-16-8-6-14-40(44)52-46(60)22-19-34-25-32-10-2-4-12-38(32)50(34)52;54-53(55,56)34-17-18-35(33(23-34)28-57)32-26-49(59-45-15-7-5-13-40(45)51-42-24-30-9-1-3-11-36(30)38(42)19-21-47(51)59)44(29-58)50(27-32)60-46-16-8-6-14-41(46)52-43-25-31-10-2-4-12-37(31)39(43)20-22-48(52)60;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-45(59-41-15-7-3-11-36(41)47-43(59)21-19-34-32-9-1-5-13-39(32)57-49(34)47)38(27-56)46(25-28)60-42-16-8-4-12-37(42)48-44(60)22-20-35-33-10-2-6-14-40(33)58-50(35)48;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-43(57-39-13-5-1-11-36(39)47-41(57)21-19-34-32-9-3-7-15-45(32)59-49(34)47)38(27-56)44(25-28)58-40-14-6-2-12-37(40)48-42(58)22-20-35-33-10-4-8-16-46(33)60-50(35)48;52-51(53,54)38-23-28(26-55)17-18-30(38)29-24-43(57-39-13-5-1-11-35(39)47-41(57)21-19-33-31-9-3-7-15-45(31)59-49(33)47)37(27-56)44(25-29)58-40-14-6-2-12-36(40)48-42(58)22-20-34-32-10-4-8-16-46(32)60-50(34)48;52-51(53,54)30-17-18-31(29(23-30)26-55)28-24-43(57-39-13-5-1-11-36(39)47-41(57)21-19-34-32-9-3-7-15-45(32)59-49(34)47)38(27-56)44(25-28)58-40-14-6-2-12-37(40)48-42(58)22-20-35-33-10-4-8-16-46(33)60-50(35)48/h2*1-23,26-27H,24-25H2;1-25,57-58H;3*1-25H.

What are the key properties of 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile?

2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile has a molecular weight of 4718.97 g/mol, XLogP of 83.75, 18 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[1,2-c]carbazol-5-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indolo[3,2-c]carbazol-5-yl)benzonitrile is sourced from PubChem (CID 159811024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).