4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine

C157H106B4N8Si — CID 157431023

About 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine

4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine (PubChem CID 157431023) has the molecular formula C157H106B4N8Si and a molecular weight of 2175.96 g/mol. Its IUPAC name is 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine.

Molecular Properties

• Compound Name: 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine
• PubChem CID: 157431023
• Molecular Formula: C157H106B4N8Si
• Molecular Weight: 2175.96 g/mol
• Exact Mass: 2174.87
• IUPAC Name: 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)cc1.c1ccc(N(c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5c(c3)c3cccc6c3n5B(c3ccccc3-6)c3ccccc3-4)cc2)cc1
• InChI: InChI=1S/C42H27BN2.C40H25BN2.C39H31BN2Si.C36H23BN2/c1-3-12-30(13-4-1)44(31-14-5-2-6-15-31)32-24-22-28(23-25-32)29-26-37-34-17-8-10-21-40(34)43-39-20-9-7-16-33(39)35-18-11-19-36-38(27-29)42(37)45(43)41(35)36;1-2-14-27(15-3-1)42(38-23-10-13-26-12-4-5-16-29(26)38)28-24-34-31-18-7-9-22-37(31)41-36-21-8-6-17-30(36)32-19-11-20-33-35(25-28)40(34)43(41)39(32)33;1-43(2,3)29-22-20-27(21-23-29)41(26-12-5-4-6-13-26)28-24-34-31-15-8-10-19-37(31)40-36-18-9-7-14-30(36)32-16-11-17-33-35(25-28)39(34)42(40)38(32)33;1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)26-22-31-28-17-8-10-21-34(28)37-33-20-9-7-16-27(33)29-18-11-19-30-32(23-26)36(31)39(37)35(29)30/h1-27H;1-25H;4-25H,1-3H3;1-23H
• InChIKey: BQNOXSOJKKPCQI-UHFFFAOYSA-N
• XLogP: 34.88
• TPSA: 32.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2175.96
LogP ≤ 5	34.88
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 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine?

The IUPAC name of 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine (CID 157431023) is 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine.

What is the SMILES notation for 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine?

The canonical SMILES for 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)cc1.c1ccc(N(c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)c2cccc5c2n4B(c2ccccc2-5)c2ccccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc4c5c(c3)c3cccc6c3n5B(c3ccccc3-6)c3ccccc3-4)cc2)cc1.

What is the InChIKey of 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine?

The InChIKey is BQNOXSOJKKPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27BN2.C40H25BN2.C39H31BN2Si.C36H23BN2/c1-3-12-30(13-4-1)44(31-14-5-2-6-15-31)32-24-22-28(23-25-32)29-26-37-34-17-8-10-21-40(34)43-39-20-9-7-16-33(39)35-18-11-19-36-38(27-29)42(37)45(43)41(35)36;1-2-14-27(15-3-1)42(38-23-10-13-26-12-4-5-16-29(26)38)28-24-34-31-18-7-9-22-37(31)41-36-21-8-6-17-30(36)32-19-11-20-33-35(25-28)40(34)43(41)39(32)33;1-43(2,3)29-22-20-27(21-23-29)41(26-12-5-4-6-13-26)28-24-34-31-15-8-10-19-37(31)40-36-18-9-7-14-30(36)32-16-11-17-33-35(25-28)39(34)42(40)38(32)33;1-3-12-24(13-4-1)38(25-14-5-2-6-15-25)26-22-31-28-17-8-10-21-34(28)37-33-20-9-7-16-27(33)29-18-11-19-30-32(23-26)36(31)39(37)35(29)30/h1-27H;1-25H;4-25H,1-3H3;1-23H.

What are the key properties of 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine?

4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine has a molecular weight of 2175.96 g/mol, XLogP of 34.88, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(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-dodecaen-5-yl)-N,N-diphenylaniline;N,N-diphenyl-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-dodecaen-5-amine;N-naphthalen-1-yl-N-phenyl-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-dodecaen-5-amine;N-phenyl-N-(4-trimethylsilylphenyl)-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-dodecaen-5-amine is sourced from PubChem (CID 157431023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).