N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine

C108H69B3N6 — CID 161235209

About N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine

N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine (PubChem CID 161235209) has the molecular formula C108H69B3N6 and a molecular weight of 1483.22 g/mol. Its IUPAC name is N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine
• PubChem CID: 161235209
• Molecular Formula: C108H69B3N6
• Molecular Weight: 1483.22 g/mol
• Exact Mass: 1482.59
• IUPAC Name: N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine
• SMILES: c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c2-c2ccccc2B4c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c2-n2c5ccccc5c5cccc(c52)B4c2ccccc2-3)cc1
• InChI: InChI=1S/3C36H23BN2/c1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)32-22-23-33-35-34(32)28-17-7-9-19-29(28)37(35)30-20-11-18-27-26-16-8-10-21-31(26)39(33)36(27)30;1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)26-22-30-27-16-7-9-19-31(27)37-32-20-11-18-29-28-17-8-10-21-33(28)39(36(29)32)34(23-26)35(30)37;1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)33-23-22-28-26-16-7-9-19-30(26)37-31-20-11-18-29-27-17-8-10-21-32(27)39(35(29)31)36(33)34(28)37/h3*1-23H
• InChIKey: UZGUPKOWAJRAIK-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 24.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.22
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine?

The IUPAC name of N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine (CID 161235209) is N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine.

What is the SMILES notation for N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine?

The canonical SMILES for N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)-n2c5ccccc5c5cccc(c52)B4c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c2-c2ccccc2B4c2cccc4c5ccccc5n-3c24)cc1.c1ccc(N(c2ccccc2)c2ccc3c4c2-n2c5ccccc5c5cccc(c52)B4c2ccccc2-3)cc1.

What is the InChIKey of N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine?

The InChIKey is UZGUPKOWAJRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C36H23BN2/c1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)32-22-23-33-35-34(32)28-17-7-9-19-29(28)37(35)30-20-11-18-27-26-16-8-10-21-31(26)39(33)36(27)30;1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)26-22-30-27-16-7-9-19-31(27)37-32-20-11-18-29-28-17-8-10-21-33(28)39(36(29)32)34(23-26)35(30)37;1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)33-23-22-28-26-16-7-9-19-30(26)37-31-20-11-18-29-27-17-8-10-21-32(27)39(35(29)31)36(33)34(28)37/h3*1-23H.

What are the key properties of N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine?

N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine has a molecular weight of 1483.22 g/mol, XLogP of 21.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-23-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3,5,7,9,11,13(26),15,17,19,21(25),22-dodecaen-24-amine;N,N-diphenyl-2-aza-14-boraheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaen-22-amine is sourced from PubChem (CID 161235209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).