13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene

C148H96N24 — CID 158801005

About 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene

13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene (PubChem CID 158801005) has the molecular formula C148H96N24 and a molecular weight of 2210.56 g/mol. Its IUPAC name is 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
• PubChem CID: 158801005
• Molecular Formula: C148H96N24
• Molecular Weight: 2210.56 g/mol
• Exact Mass: 2208.82
• IUPAC Name: 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)n1c4ccccc4nc1n3c1nc3ccccc3n21.c1ccc(-n2c3ccccc3c3c(-c4cc5c6c(c4)n4c7ccccc7nc4n6c4nc6ccccc6n54)cccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6c(c4)n4c7ccccc7nc4n6c4nc6ccccc6n54)cc32)cc1.c1ccc2c(c1)nc1n2c2cc(-n3c4ccccc4c4ccccc43)cc3c2n1c1nc2ccccc2n31
• InChI: InChI=1S/C40H34N6.2C38H22N6.C32H18N6/c1-39(2,3)23-15-17-30-26(19-23)27-20-24(40(4,5)6)16-18-31(27)43(30)25-21-34-36-35(22-25)45-33-14-10-8-12-29(33)42-38(45)46(36)37-41-28-11-7-9-13-32(28)44(34)37;1-2-11-24(12-3-1)41-29-17-7-4-13-26(29)35-25(14-10-20-32(35)41)23-21-33-36-34(22-23)43-31-19-9-6-16-28(31)40-38(43)44(36)37-39-27-15-5-8-18-30(27)42(33)37;1-2-10-25(11-3-1)41-30-15-7-4-12-26(30)27-19-18-23(20-33(27)41)24-21-34-36-35(22-24)43-32-17-9-6-14-29(32)40-38(43)44(36)37-39-28-13-5-8-16-31(28)42(34)37;1-5-13-24-20(9-1)21-10-2-6-14-25(21)35(24)19-17-28-30-29(18-19)37-27-16-8-4-12-23(27)34-32(37)38(30)31-33-22-11-3-7-15-26(22)36(28)31/h7-22H,1-6H3;2*1-22H;1-18H
• InChIKey: ITMFMRNDHWWXNP-UHFFFAOYSA-N
• XLogP: 34.85
• TPSA: 175.76 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2210.56
LogP ≤ 5	34.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The IUPAC name of 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene (CID 158801005) is 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene.

What is the SMILES notation for 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The canonical SMILES for 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc2c3c(c1)n1c4ccccc4nc1n3c1nc3ccccc3n21.c1ccc(-n2c3ccccc3c3c(-c4cc5c6c(c4)n4c7ccccc7nc4n6c4nc6ccccc6n54)cccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6c(c4)n4c7ccccc7nc4n6c4nc6ccccc6n54)cc32)cc1.c1ccc2c(c1)nc1n2c2cc(-n3c4ccccc4c4ccccc43)cc3c2n1c1nc2ccccc2n31.

What is the InChIKey of 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

The InChIKey is ITMFMRNDHWWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N6.2C38H22N6.C32H18N6/c1-39(2,3)23-15-17-30-26(19-23)27-20-24(40(4,5)6)16-18-31(27)43(30)25-21-34-36-35(22-25)45-33-14-10-8-12-29(33)42-38(45)46(36)37-41-28-11-7-9-13-32(28)44(34)37;1-2-11-24(12-3-1)41-29-17-7-4-13-26(29)35-25(14-10-20-32(35)41)23-21-33-36-34(22-23)43-31-19-9-6-16-28(31)40-38(43)44(36)37-39-27-15-5-8-18-30(27)42(33)37;1-2-10-25(11-3-1)41-30-15-7-4-12-26(30)27-19-18-23(20-33(27)41)24-21-34-36-35(22-24)43-32-17-9-6-14-29(32)40-38(43)44(36)37-39-28-13-5-8-16-31(28)42(34)37;1-5-13-24-20(9-1)21-10-2-6-14-25(21)35(24)19-17-28-30-29(18-19)37-27-16-8-4-12-23(27)34-32(37)38(30)31-33-22-11-3-7-15-26(22)36(28)31/h7-22H,1-6H3;2*1-22H;1-18H.

What are the key properties of 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene?

13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene has a molecular weight of 2210.56 g/mol, XLogP of 34.85, 6 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 13-carbazol-9-yl-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(3,6-ditert-butylcarbazol-9-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-2-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene;13-(9-phenylcarbazol-4-yl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene is sourced from PubChem (CID 158801005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).