17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene

C229H157B3N8O3 — CID 160545955

About 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene

17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene (PubChem CID 160545955) has the molecular formula C229H157B3N8O3 and a molecular weight of 3101.26 g/mol. Its IUPAC name is 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene.

Molecular Properties

• Compound Name: 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene
• PubChem CID: 160545955
• Molecular Formula: C229H157B3N8O3
• Molecular Weight: 3101.26 g/mol
• Exact Mass: 3099.27
• IUPAC Name: 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene
• SMILES: Cc1cc(C)c(-c2cc3c4c(c2)-n2c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)cc(c52)B4c2cc(-c4ccccc4-c4ccccc4)cc(-c4ccccc4-c4ccccc4)c2O3)c(C)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)cc4c2n3-c2cc(C(C)C)cc3c2B4c2cc(-c4ccccc4-c4ccccc4)cc(-c4ccccc4-c4ccccc4)c2O3)c(C)c1.N#Cc1ccc(-c2cc3c4c(c2)-n2c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)cc(c52)B4c2cc(-c4ccccc4-c4ccccc4)cc(-c4ccccc4-c4ccccc4)c2O3)cc1
• InChI: InChI=1S/C81H54BN3O.C79H47BN4O.C69H56BNO/c1-49-40-50(2)78(51(3)41-49)55-44-76-79-77(45-55)86-81-68(61-29-13-12-27-59(61)53-24-8-5-9-25-53)42-54(60-28-11-10-26-58(60)52-22-6-4-7-23-52)43-70(81)82(79)69-48-57(84-73-36-20-16-32-64(73)65-33-17-21-37-74(65)84)47-67-66-46-56(38-39-75(66)85(76)80(67)69)83-71-34-18-14-30-62(71)63-31-15-19-35-72(63)83;81-48-49-35-37-50(38-36-49)53-43-75-77-76(44-53)85-79-67(60-26-10-9-24-58(60)52-21-5-2-6-22-52)41-54(59-25-8-7-23-57(59)51-19-3-1-4-20-51)42-69(79)80(77)68-47-56(83-72-33-17-13-29-63(72)64-30-14-18-34-73(64)83)46-66-65-45-55(39-40-74(65)84(75)78(66)68)82-70-31-15-11-27-61(70)62-28-12-16-32-71(62)82;1-40(2)50-38-63-67-64(39-50)72-69-59(56-26-18-17-24-54(56)48-21-13-10-14-22-48)34-51(55-25-16-15-23-53(55)47-19-11-9-12-20-47)36-61(69)70(67)60-37-52(66-45(7)31-42(4)32-46(66)8)35-58-57-33-49(27-28-62(57)71(63)68(58)60)65-43(5)29-41(3)30-44(65)6/h4-48H,1-3H3;1-47H;9-40H,1-8H3
• InChIKey: QXKWHCPRYIFZJO-UHFFFAOYSA-N
• XLogP: 53.99
• TPSA: 85.99 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3101.26
LogP ≤ 5	53.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

The IUPAC name of 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene (CID 160545955) is 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene.

What is the SMILES notation for 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

The canonical SMILES for 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene is Cc1cc(C)c(-c2cc3c4c(c2)-n2c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)cc(c52)B4c2cc(-c4ccccc4-c4ccccc4)cc(-c4ccccc4-c4ccccc4)c2O3)c(C)c1.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)cc4c2n3-c2cc(C(C)C)cc3c2B4c2cc(-c4ccccc4-c4ccccc4)cc(-c4ccccc4-c4ccccc4)c2O3)c(C)c1.N#Cc1ccc(-c2cc3c4c(c2)-n2c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)cc(c52)B4c2cc(-c4ccccc4-c4ccccc4)cc(-c4ccccc4-c4ccccc4)c2O3)cc1.

What is the InChIKey of 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

The InChIKey is QXKWHCPRYIFZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H54BN3O.C79H47BN4O.C69H56BNO/c1-49-40-50(2)78(51(3)41-49)55-44-76-79-77(45-55)86-81-68(61-29-13-12-27-59(61)53-24-8-5-9-25-53)42-54(60-28-11-10-26-58(60)52-22-6-4-7-23-52)43-70(81)82(79)69-48-57(84-73-36-20-16-32-64(73)65-33-17-21-37-74(65)84)47-67-66-46-56(38-39-75(66)85(76)80(67)69)83-71-34-18-14-30-62(71)63-31-15-19-35-72(63)83;81-48-49-35-37-50(38-36-49)53-43-75-77-76(44-53)85-79-67(60-26-10-9-24-58(60)52-21-5-2-6-22-52)41-54(59-25-8-7-23-57(59)51-19-3-1-4-20-51)42-69(79)80(77)68-47-56(83-72-33-17-13-29-63(72)64-30-14-18-34-73(64)83)46-66-65-45-55(39-40-74(65)84(75)78(66)68)82-70-31-15-11-27-61(70)62-28-12-16-32-71(62)82;1-40(2)50-38-63-67-64(39-50)72-69-59(56-26-18-17-24-54(56)48-21-13-10-14-22-48)34-51(55-25-16-15-23-53(55)47-19-11-9-12-20-47)36-61(69)70(67)60-37-52(66-45(7)31-42(4)32-46(66)8)35-58-57-33-49(27-28-62(57)71(63)68(58)60)65-43(5)29-41(3)30-44(65)6/h4-48H,1-3H3;1-47H;9-40H,1-8H3.

What are the key properties of 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene?

17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene has a molecular weight of 3101.26 g/mol, XLogP of 53.99, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 17,19-bis(2-phenylphenyl)-24-propan-2-yl-6,11-bis(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene;4-[6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaen-24-yl]benzonitrile;6,11-di(carbazol-9-yl)-17,19-bis(2-phenylphenyl)-24-(2,4,6-trimethylphenyl)-21-oxa-2-aza-14-boraheptacyclo[12.11.1.12,9.03,8.015,20.022,26.013,27]heptacosa-1(26),3(8),4,6,9(27),10,12,15,17,19,22,24-dodecaene is sourced from PubChem (CID 160545955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).