3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole

C132H78N10 — CID 158182877

About 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole

3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (PubChem CID 158182877) has the molecular formula C132H78N10 and a molecular weight of 1804.15 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.

Molecular Properties

• Compound Name: 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
• PubChem CID: 158182877
• Molecular Formula: C132H78N10
• Molecular Weight: 1804.15 g/mol
• Exact Mass: 1802.64
• IUPAC Name: 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4cc5c6c(cccc6n4)-c4ccccc4-5)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5c6c(cccc6n4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1.c1ccc2c(c1)-c1cccc3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc-2c13
• InChI: InChI=1S/C48H28N4.C45H27N3.C39H23N3/c1-2-12-32(13-3-1)51-43-25-22-31(28-40(43)38-24-21-29-11-4-5-14-33(29)47(38)51)30-23-26-44-39(27-30)35-16-8-9-20-42(35)52(44)48-49-41-19-10-18-36-34-15-6-7-17-37(34)46(50-48)45(36)41;1-2-11-29(12-3-1)47-43-23-21-28(40-27-38-32-14-5-4-13-31(32)35-17-10-18-39(46-40)45(35)38)25-36(43)37-26-30(22-24-44(37)47)48-41-19-8-6-15-33(41)34-16-7-9-20-42(34)48;1-2-11-26-25(10-1)30-15-9-16-33-39(30)32(26)23-38(40-33)42-36-19-8-5-14-29(36)31-22-24(20-21-37(31)42)41-34-17-6-3-12-27(34)28-13-4-7-18-35(28)41/h1-28H;1-27H;1-23H
• InChIKey: FYURLBFNRFTVEY-UHFFFAOYSA-N
• XLogP: 34.11
• TPSA: 81.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1804.15
LogP ≤ 5	34.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?

The IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole (CID 158182877) is 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole.

What is the SMILES notation for 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?

The canonical SMILES for 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccc(-c4cc5c6c(cccc6n4)-c4ccccc4-5)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)cc1.c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5c6c(cccc6n4)-c4ccccc4-5)cc3c3ccc4ccccc4c32)cc1.c1ccc2c(c1)-c1cccc3nc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc-2c13.

What is the InChIKey of 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?

The InChIKey is FYURLBFNRFTVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4.C45H27N3.C39H23N3/c1-2-12-32(13-3-1)51-43-25-22-31(28-40(43)38-24-21-29-11-4-5-14-33(29)47(38)51)30-23-26-44-39(27-30)35-16-8-9-20-42(35)52(44)48-49-41-19-10-18-36-34-15-6-7-17-37(34)46(50-48)45(36)41;1-2-11-29(12-3-1)47-43-23-21-28(40-27-38-32-14-5-4-13-31(32)35-17-10-18-39(46-40)45(35)38)25-36(43)37-26-30(22-24-44(37)47)48-41-19-8-6-15-33(41)34-16-7-9-20-42(34)48;1-2-11-26-25(10-1)30-15-9-16-33-39(30)32(26)23-38(40-33)42-36-19-8-5-14-29(36)31-22-24(20-21-37(31)42)41-34-17-6-3-12-27(34)28-13-4-7-18-35(28)41/h1-28H;1-27H;1-23H.

What are the key properties of 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole?

3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole has a molecular weight of 1804.15 g/mol, XLogP of 34.11, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-carbazol-9-ylcarbazol-9-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;8-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 158182877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).