5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

C171H106B4N8 — CID 158834731

About 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (PubChem CID 158834731) has the molecular formula C171H106B4N8 and a molecular weight of 2316.03 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• PubChem CID: 158834731
• Molecular Formula: C171H106B4N8
• Molecular Weight: 2316.03 g/mol
• Exact Mass: 2314.89
• IUPAC Name: 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• SMILES: Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc2c3c(c1)c1cccc4c1n3B(c1ccccc1-4)c1ccccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc2c3c(c1)c1cccc4c1n3B(c1ccccc1-4)c1ccccc1-2.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)cc1.c1ccc2c(c1)B1c3ccccc3-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4c5cccc-2c5n1c34
• InChI: InChI=1S/C48H29BN2.C43H27BN2.C42H25BN2.C38H25BN2/c1-3-12-30(13-4-1)32-22-24-45-39(26-32)40-27-33(31-14-5-2-6-15-31)23-25-46(40)50(45)34-28-41-36-17-8-10-21-44(36)49-43-20-9-7-16-35(43)37-18-11-19-38-42(29-34)48(41)51(49)47(37)38;1-26-18-20-40-34(22-26)35-23-28(27-10-3-2-4-11-27)19-21-41(35)45(40)29-24-36-31-13-6-8-17-39(31)44-38-16-7-5-12-30(38)32-14-9-15-33-37(25-29)43(36)46(44)42(32)33;1-5-16-37-29(10-1)33-14-9-15-34-36-25-27(24-35-30-11-2-6-17-38(30)43(37)45(41(33)34)42(35)36)26-20-22-28(23-21-26)44-39-18-7-3-12-31(39)32-13-4-8-19-40(32)44;1-22-14-16-35-29(18-22)30-19-23(2)15-17-36(30)40(35)24-20-31-26-9-4-6-13-34(26)39-33-12-5-3-8-25(33)27-10-7-11-28-32(21-24)38(31)41(39)37(27)28/h1-29H;2-25H,1H3;1-25H;3-21H,1-2H3
• InChIKey: IXMJSVIFTFFHBY-UHFFFAOYSA-N
• XLogP: 37.62
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2316.03
LogP ≤ 5	37.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The IUPAC name of 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (CID 158834731) is 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cc2c3c(c1)c1cccc4c1n3B(c1ccccc1-4)c1ccccc1-2.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc2c3c(c1)c1cccc4c1n3B(c1ccccc1-4)c1ccccc1-2.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)cc1.c1ccc2c(c1)B1c3ccccc3-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc4c5cccc-2c5n1c34.

What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The InChIKey is IXMJSVIFTFFHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29BN2.C43H27BN2.C42H25BN2.C38H25BN2/c1-3-12-30(13-4-1)32-22-24-45-39(26-32)40-27-33(31-14-5-2-6-15-31)23-25-46(40)50(45)34-28-41-36-17-8-10-21-44(36)49-43-20-9-7-16-35(43)37-18-11-19-38-42(29-34)48(41)51(49)47(37)38;1-26-18-20-40-34(22-26)35-23-28(27-10-3-2-4-11-27)19-21-41(35)45(40)29-24-36-31-13-6-8-17-39(31)44-38-16-7-5-12-30(38)32-14-9-15-33-37(25-29)43(36)46(44)42(32)33;1-5-16-37-29(10-1)33-14-9-15-34-36-25-27(24-35-30-11-2-6-17-38(30)43(37)45(41(33)34)42(35)36)26-20-22-28(23-21-26)44-39-18-7-3-12-31(39)32-13-4-8-19-40(32)44;1-22-14-16-35-29(18-22)30-19-23(2)15-17-36(30)40(35)24-20-31-26-9-4-6-13-34(26)39-33-12-5-3-8-25(33)27-10-7-11-28-32(21-24)38(31)41(39)37(27)28/h1-29H;2-25H,1H3;1-25H;3-21H,1-2H3.

What are the key properties of 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene has a molecular weight of 2316.03 g/mol, XLogP of 37.62, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-carbazol-9-ylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-dimethylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3,6-diphenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5-(3-methyl-6-phenylcarbazol-9-yl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 158834731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).