9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine

C231H166N10 — CID 161161874

About 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine

9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine (PubChem CID 161161874) has the molecular formula C231H166N10 and a molecular weight of 3081.94 g/mol. Its IUPAC name is 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine.

Molecular Properties

• Compound Name: 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine
• PubChem CID: 161161874
• Molecular Formula: C231H166N10
• Molecular Weight: 3081.94 g/mol
• Exact Mass: 3079.33
• IUPAC Name: 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2c(-n2c4ccccc4c4ccccc42)cc1n3-c1nc(-c2ccccc2)nc2ccccc12.CC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1n3-c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2c(N(c2ccc(-c4ccccc4)cc2)c2ccccc2-c2ccccc2)cc1n3-c1ccccc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3cc5c(cc3n4-c3ccc(-c4ccccc4)cc3)-c3ccccc3C5(C)C)cc21
• InChI: InChI=1S/C64H48N2.C61H44N2.C55H40N2.C51H34N4/c1-63(2)55-25-15-13-21-48(55)50-36-35-47(37-57(50)63)65(45-31-27-43(28-32-45)41-17-7-5-8-18-41)60-40-61-62(52-24-12-11-23-51(52)60)54-38-58-53(49-22-14-16-26-56(49)64(58,3)4)39-59(54)66(61)46-33-29-44(30-34-46)42-19-9-6-10-20-42;1-61(2)55-25-15-14-22-50(55)53-39-57-54(38-56(53)61)60-52-24-13-12-23-51(52)58(40-59(60)63(57)49-36-30-46(31-37-49)43-20-10-5-11-21-43)62(47-32-26-44(27-33-47)41-16-6-3-7-17-41)48-34-28-45(29-35-48)42-18-8-4-9-19-42;1-55(2)48-28-16-14-25-43(48)46-35-51-47(34-49(46)55)54-45-27-13-12-26-44(45)52(36-53(54)57(51)40-22-10-5-11-23-40)56(41-32-30-38(31-33-41)37-18-6-3-7-19-37)50-29-17-15-24-42(50)39-20-8-4-9-21-39;1-51(2)40-24-12-8-18-32(40)38-29-45-39(28-41(38)51)48-36-22-7-6-21-35(36)46(54-43-26-14-10-19-33(43)34-20-11-15-27-44(34)54)30-47(48)55(45)50-37-23-9-13-25-42(37)52-49(53-50)31-16-4-3-5-17-31/h5-40H,1-4H3;3-40H,1-2H3;3-36H,1-2H3;3-30H,1-2H3
• InChIKey: UQAGVRZRCSGJDK-UHFFFAOYSA-N
• XLogP: 62.06
• TPSA: 60.15 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3081.94
LogP ≤ 5	62.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine?

The IUPAC name of 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine (CID 161161874) is 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine.

What is the SMILES notation for 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine?

The canonical SMILES for 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine is CC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2c(-n2c4ccccc4c4ccccc42)cc1n3-c1nc(-c2ccccc2)nc2ccccc12.CC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2c(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)cc1n3-c1ccc(-c2ccccc2)cc1.CC1(C)c2ccccc2-c2cc3c(cc21)c1c2ccccc2c(N(c2ccc(-c4ccccc4)cc2)c2ccccc2-c2ccccc2)cc1n3-c1ccccc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5ccccc35)c3cc5c(cc3n4-c3ccc(-c4ccccc4)cc3)-c3ccccc3C5(C)C)cc21.

What is the InChIKey of 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine?

The InChIKey is UQAGVRZRCSGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2.C61H44N2.C55H40N2.C51H34N4/c1-63(2)55-25-15-13-21-48(55)50-36-35-47(37-57(50)63)65(45-31-27-43(28-32-45)41-17-7-5-8-18-41)60-40-61-62(52-24-12-11-23-51(52)60)54-38-58-53(49-22-14-16-26-56(49)64(58,3)4)39-59(54)66(61)46-33-29-44(30-34-46)42-19-9-6-10-20-42;1-61(2)55-25-15-14-22-50(55)53-39-57-54(38-56(53)61)60-52-24-13-12-23-51(52)58(40-59(60)63(57)49-36-30-46(31-37-49)43-20-10-5-11-21-43)62(47-32-26-44(27-33-47)41-16-6-3-7-17-41)48-34-28-45(29-35-48)42-18-8-4-9-19-42;1-55(2)48-28-16-14-25-43(48)46-35-51-47(34-49(46)55)54-45-27-13-12-26-44(45)52(36-53(54)57(51)40-22-10-5-11-23-40)56(41-32-30-38(31-33-41)37-18-6-3-7-19-37)50-29-17-15-24-42(50)39-20-8-4-9-21-39;1-51(2)40-24-12-8-18-32(40)38-29-45-39(28-41(38)51)48-36-22-7-6-21-35(36)46(54-43-26-14-10-19-33(43)34-20-11-15-27-44(34)54)30-47(48)55(45)50-37-23-9-13-25-42(37)52-49(53-50)31-16-4-3-5-17-31/h5-40H,1-4H3;3-40H,1-2H3;3-36H,1-2H3;3-30H,1-2H3.

What are the key properties of 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine?

9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine has a molecular weight of 3081.94 g/mol, XLogP of 62.06, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine is sourced from PubChem (CID 161161874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).