13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene

C203H136N12 — CID 162152000

About 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene

13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene (PubChem CID 162152000) has the molecular formula C203H136N12 and a molecular weight of 2743.40 g/mol. Its IUPAC name is 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene
• PubChem CID: 162152000
• Molecular Formula: C203H136N12
• Molecular Weight: 2743.40 g/mol
• Exact Mass: 2741.10
• IUPAC Name: 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene
• SMILES: CC1(C)c2ccc3ccccc3c2-c2c1c(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)cc1c2c2ccc3ccccc3c2n1-c1ccccc1.CC1(C)c2ccccc2-c2c1c1c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c1c1ccccc21.c1ccc(-c2cccc(-n3c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4c4c5c6c7ccccc7ccc6n(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6c7cc8ccccc8cc7n(-c7ccccc7)c6ccc4n5-c4ccccn4)ccc32)cc1
• InChI: InChI=1S/C56H36N4.C53H36N2.C51H32N4.C43H32N2/c1-5-16-37(17-6-1)41-23-15-26-44(34-41)60-50-32-33-51-55(53-45-27-14-13-18-38(45)29-31-49(53)59(51)43-24-11-4-12-25-43)54(50)46-30-28-42(35-52(46)60)56-57-47(39-19-7-2-8-20-39)36-48(58-56)40-21-9-3-10-22-40;1-53(2)44-29-26-33-15-9-11-21-38(33)48(44)50-49-41-28-25-34-16-10-12-22-39(34)52(41)55(37-19-7-4-8-20-37)47(49)32-42(51(50)53)35-27-30-46-43(31-35)40-23-13-14-24-45(40)54(46)36-17-5-3-6-18-36;1-3-15-37(16-4-1)53-43-20-10-9-19-39(43)40-29-35(22-24-44(40)53)36-23-25-45-41(31-36)50-47(55(45)49-21-11-12-28-52-49)27-26-46-51(50)42-30-33-13-7-8-14-34(33)32-48(42)54(46)38-17-5-2-6-18-38;1-43(2)37-25-15-14-24-35(37)39-33-22-12-13-23-34(33)42-40(41(39)43)36-27-26-32(28-38(36)45(42)31-20-10-5-11-21-31)44(29-16-6-3-7-17-29)30-18-8-4-9-19-30/h1-36H;3-32H,1-2H3;1-32H;3-28H,1-2H3
• InChIKey: ZLIJQLOKKRAUPF-UHFFFAOYSA-N
• XLogP: 53.56
• TPSA: 81.35 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2743.40
LogP ≤ 5	53.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene?

The IUPAC name of 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene (CID 162152000) is 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene.

What is the SMILES notation for 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene?

The canonical SMILES for 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene is CC1(C)c2ccc3ccccc3c2-c2c1c(-c1ccc3c(c1)c1ccccc1n3-c1ccccc1)cc1c2c2ccc3ccccc3c2n1-c1ccccc1.CC1(C)c2ccccc2-c2c1c1c3ccc(N(c4ccccc4)c4ccccc4)cc3n(-c3ccccc3)c1c1ccccc21.c1ccc(-c2cccc(-n3c4cc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc4c4c5c6c7ccccc7ccc6n(-c6ccccc6)c5ccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6c7cc8ccccc8cc7n(-c7ccccc7)c6ccc4n5-c4ccccn4)ccc32)cc1.

What is the InChIKey of 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene?

The InChIKey is ZLIJQLOKKRAUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4.C53H36N2.C51H32N4.C43H32N2/c1-5-16-37(17-6-1)41-23-15-26-44(34-41)60-50-32-33-51-55(53-45-27-14-13-18-38(45)29-31-49(53)59(51)43-24-11-4-12-25-43)54(50)46-30-28-42(35-52(46)60)56-57-47(39-19-7-2-8-20-39)36-48(58-56)40-21-9-3-10-22-40;1-53(2)44-29-26-33-15-9-11-21-38(33)48(44)50-49-41-28-25-34-16-10-12-22-39(34)52(41)55(37-19-7-4-8-20-37)47(49)32-42(51(50)53)35-27-30-46-43(31-35)40-23-13-14-24-45(40)54(46)36-17-5-3-6-18-36;1-3-15-37(16-4-1)53-43-20-10-9-19-39(43)40-29-35(22-24-44(40)53)36-23-25-45-41(31-36)50-47(55(45)49-21-11-12-28-52-49)27-26-46-51(50)42-30-33-13-7-8-14-34(33)32-48(42)54(46)38-17-5-2-6-18-38;1-43(2)37-25-15-14-24-35(37)39-33-22-12-13-23-34(33)42-40(41(39)43)36-27-26-32(28-38(36)45(42)31-20-10-5-11-21-31)44(29-16-6-3-7-17-29)30-18-8-4-9-19-30/h1-36H;3-32H,1-2H3;1-32H;3-28H,1-2H3.

What are the key properties of 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene?

13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene has a molecular weight of 2743.40 g/mol, XLogP of 53.56, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 13,13-dimethyl-18-phenyl-15-(9-phenylcarbazol-3-yl)-18-azaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene;24,24-dimethyl-N,N,9-triphenyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-6-amine;6-(4,6-diphenylpyrimidin-2-yl)-14-phenyl-9-(3-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene;14-phenyl-5-(9-phenylcarbazol-3-yl)-9-pyridin-2-yl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 162152000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).