12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene

C152H92N12 — CID 161327076

About 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene

12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene (PubChem CID 161327076) has the molecular formula C152H92N12 and a molecular weight of 2086.49 g/mol. Its IUPAC name is 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene.

Molecular Properties

• Compound Name: 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene
• PubChem CID: 161327076
• Molecular Formula: C152H92N12
• Molecular Weight: 2086.49 g/mol
• Exact Mass: 2084.76
• IUPAC Name: 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene
• SMILES: c1ccc2c(c1)-c1cccc(-n3c4ccccc4c4ccccc43)c1-c1ccccc1-c1c-2cnc2ncccc12.c1ccc2c(c1)-c1ccccc1-c1c(cccc1-n1c3ccccc3c3ccccc31)-c1c-2cnc2ncccc12.c1ccc2c(c1)-c1ccccc1-c1cnc3ncccc3c1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cnc3ncccc3c1-c1ccc(-n3c4ccccc4c4ccccc43)cc1-2
• InChI: InChI=1S/4C38H23N3/c1-3-12-27-25(10-1)26-11-2-4-13-28(26)34-23-40-38-32(16-9-21-39-38)37(34)31-20-19-24(22-33(27)31)41-35-17-7-5-14-29(35)30-15-6-8-18-36(30)41;1-2-13-26-24(11-1)25-12-3-4-16-29(25)37-30(36-31-18-10-22-39-38(31)40-23-32(26)36)17-9-21-35(37)41-33-19-7-5-14-27(33)28-15-6-8-20-34(28)41;1-2-12-25-24(11-1)28-17-9-21-35(41-33-19-7-5-13-26(33)27-14-6-8-20-34(27)41)37(28)30-16-4-3-15-29(30)36-31-18-10-22-39-38(31)40-23-32(25)36;1-2-12-27-25(10-1)26-11-3-4-13-28(26)34-23-40-38-32(16-9-21-39-38)37(34)33-22-24(19-20-29(27)33)41-35-17-7-5-14-30(35)31-15-6-8-18-36(31)41/h4*1-23H/b26-25-,33-27-,34-28-,37-31-;25-24-,32-26-,36-30-,37-29+;28-24-,32-25-,36-29-,37-30+;26-25-,29-27-,34-28-,37-33-
• InChIKey: VKXIYYQGUAOAEI-QINUNKGLSA-N
• XLogP: 38.83
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.49
LogP ≤ 5	38.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene?

The IUPAC name of 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene (CID 161327076) is 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene.

What is the SMILES notation for 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene?

The canonical SMILES for 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene is c1ccc2c(c1)-c1cccc(-n3c4ccccc4c4ccccc43)c1-c1ccccc1-c1c-2cnc2ncccc12.c1ccc2c(c1)-c1ccccc1-c1c(cccc1-n1c3ccccc3c3ccccc31)-c1c-2cnc2ncccc12.c1ccc2c(c1)-c1ccccc1-c1cnc3ncccc3c1-c1cc(-n3c4ccccc4c4ccccc43)ccc1-2.c1ccc2c(c1)-c1ccccc1-c1cnc3ncccc3c1-c1ccc(-n3c4ccccc4c4ccccc43)cc1-2.

What is the InChIKey of 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene?

The InChIKey is VKXIYYQGUAOAEI-QINUNKGLSA-N. The full InChI is InChI=1S/4C38H23N3/c1-3-12-27-25(10-1)26-11-2-4-13-28(26)34-23-40-38-32(16-9-21-39-38)37(34)31-20-19-24(22-33(27)31)41-35-17-7-5-14-29(35)30-15-6-8-18-36(30)41;1-2-13-26-24(11-1)25-12-3-4-16-29(25)37-30(36-31-18-10-22-39-38(31)40-23-32(26)36)17-9-21-35(37)41-33-19-7-5-14-27(33)28-15-6-8-20-34(28)41;1-2-12-25-24(11-1)28-17-9-21-35(41-33-19-7-5-13-26(33)27-14-6-8-20-34(27)41)37(28)30-16-4-3-15-29(30)36-31-18-10-22-39-38(31)40-23-32(25)36;1-2-12-27-25(10-1)26-11-3-4-13-28(26)34-23-40-38-32(16-9-21-39-38)37(34)33-22-24(19-20-29(27)33)41-35-17-7-5-14-30(35)31-15-6-8-18-36(31)41/h4*1-23H/b26-25-,33-27-,34-28-,37-31-;25-24-,32-26-,36-30-,37-29+;28-24-,32-25-,36-29-,37-30+;26-25-,29-27-,34-28-,37-33-.

What are the key properties of 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene?

12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene has a molecular weight of 2086.49 g/mol, XLogP of 38.83, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 12-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22,24,26-tetradecaene;15-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;16-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene;17-carbazol-9-yl-25,27-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22,24,26-tetradecaene is sourced from PubChem (CID 161327076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).