11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

C164H106N12 — CID 157134468

About 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 157134468) has the molecular formula C164H106N12 and a molecular weight of 2244.74 g/mol. Its IUPAC name is 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

• Compound Name: 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• PubChem CID: 157134468
• Molecular Formula: C164H106N12
• Molecular Weight: 2244.74 g/mol
• Exact Mass: 2242.87
• IUPAC Name: 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-c5ccccc5-n5c4cc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N4c5c(ccc6ccccc56)-c5ccccc5-n5c4cc4ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5-c5c(ccc6ccccc56)-n5c4cc4ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5-c5ccccc5-n5c4cc4ccc6ccccc6c45)cc32)cc1
• InChI: InChI=1S/3C42H27N3.C38H25N3/c1-2-14-30(15-3-1)43-37-20-10-7-17-33(37)34-24-23-31(27-40(34)43)44-38-21-11-8-18-35(38)42-32-16-6-4-12-28(32)22-25-39(42)45-36-19-9-5-13-29(36)26-41(44)45;1-2-14-30(15-3-1)43-38-20-10-7-17-33(38)35-25-23-31(27-40(35)43)44-41-26-29-13-5-9-19-37(29)45(41)39-21-11-8-18-34(39)36-24-22-28-12-4-6-16-32(28)42(36)44;1-2-13-30(14-3-1)43-37-19-9-6-18-35(37)36-25-24-31(27-40(36)43)44-38-20-10-7-16-33(38)34-17-8-11-21-39(34)45-41(44)26-29-23-22-28-12-4-5-15-32(28)42(29)45;1-2-13-27(14-3-1)39-34-19-9-7-17-31(34)32-25-28(22-23-37(32)39)40-35-20-10-5-15-29(35)30-16-6-11-21-36(30)41-33-18-8-4-12-26(33)24-38(40)41/h3*1-27H;1-25H
• InChIKey: AJLOQJZVWLLVMX-UHFFFAOYSA-N
• XLogP: 44.17
• TPSA: 52.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2244.74
LogP ≤ 5	44.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The IUPAC name of 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (CID 157134468) is 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

What is the SMILES notation for 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The canonical SMILES for 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is c1ccc(-n2c3ccccc3c3cc(N4c5ccccc5-c5ccccc5-n5c4cc4ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N4c5c(ccc6ccccc56)-c5ccccc5-n5c4cc4ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5-c5c(ccc6ccccc56)-n5c4cc4ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5-c5ccccc5-n5c4cc4ccc6ccccc6c45)cc32)cc1.

What is the InChIKey of 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The InChIKey is AJLOQJZVWLLVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H27N3.C38H25N3/c1-2-14-30(15-3-1)43-37-20-10-7-17-33(37)34-24-23-31(27-40(34)43)44-38-21-11-8-18-35(38)42-32-16-6-4-12-28(32)22-25-39(42)45-36-19-9-5-13-29(36)26-41(44)45;1-2-14-30(15-3-1)43-38-20-10-7-17-33(38)35-25-23-31(27-40(35)43)44-41-26-29-13-5-9-19-37(29)45(41)39-21-11-8-18-34(39)36-24-22-28-12-4-6-16-32(28)42(36)44;1-2-13-30(14-3-1)43-37-19-9-6-18-35(37)36-25-24-31(27-40(36)43)44-38-20-10-7-16-33(38)34-17-8-11-21-39(34)45-41(44)26-29-23-22-28-12-4-5-15-32(28)42(29)45;1-2-13-27(14-3-1)39-34-19-9-7-17-31(34)32-25-28(22-23-37(32)39)40-35-20-10-5-15-29(35)30-16-6-11-21-36(30)41-33-18-8-4-12-26(33)24-38(40)41/h3*1-27H;1-25H.

What are the key properties of 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 2244.74 g/mol, XLogP of 44.17, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(9-phenylcarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.019,24]hexacosa-1(18),3,5,7,9,12,14,16,19,21,23,25-dodecaene;14-(9-phenylcarbazol-2-yl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene;17-(9-phenylcarbazol-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.019,24]hexacosa-1(18),2,4,6,9,11,13,15,19,21,23,25-dodecaene;14-(9-phenylcarbazol-3-yl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 157134468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).