8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C142H100B3N9 — CID 167623998

About 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 167623998) has the molecular formula C142H100B3N9 and a molecular weight of 1964.86 g/mol. Its IUPAC name is 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 167623998
• Molecular Formula: C142H100B3N9
• Molecular Weight: 1964.86 g/mol
• Exact Mass: 1963.84
• IUPAC Name: 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccc4ccccc4c2)c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1.c1ccc(N2CCB3c4ccc(N(c5ccccc5)c5ccccc5)cc4N(c4cccc5ccccc45)c4cccc2c43)cc1
• InChI: InChI=1S/C54H36BN3.C46H32BN3.C42H32BN3/c1-4-17-37(18-5-1)56(38-19-6-2-7-20-38)41-32-34-49-53(36-41)58(40-31-33-46-44-25-11-10-23-42(44)43-24-12-13-26-45(43)47(46)35-40)52-30-16-29-51-54(52)55(49)48-27-14-15-28-50(48)57(51)39-21-8-3-9-22-39;1-4-17-35(18-5-1)48(36-19-6-2-7-20-36)39-29-30-41-45(32-39)50(38-28-27-33-15-10-11-16-34(33)31-38)44-26-14-25-43-46(44)47(41)40-23-12-13-24-42(40)49(43)37-21-8-3-9-22-37;1-4-16-32(17-5-1)44-29-28-43-37-27-26-35(45(33-18-6-2-7-19-33)34-20-8-3-9-21-34)30-41(37)46(40-25-13-24-39(44)42(40)43)38-23-12-15-31-14-10-11-22-36(31)38/h1-36H;1-32H;1-27,30H,28-29H2
• InChIKey: MVFUDQSNRCECQQ-UHFFFAOYSA-N
• XLogP: 32.94
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1964.86
LogP ≤ 5	32.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 167623998) is 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccc4ccccc4c2)c2cccc4c2B3c2ccccc2N4c2ccccc2)cc1.c1ccc(N2CCB3c4ccc(N(c5ccccc5)c5ccccc5)cc4N(c4cccc5ccccc45)c4cccc2c43)cc1.

What is the InChIKey of 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is MVFUDQSNRCECQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36BN3.C46H32BN3.C42H32BN3/c1-4-17-37(18-5-1)56(38-19-6-2-7-20-38)41-32-34-49-53(36-41)58(40-31-33-46-44-25-11-10-23-42(44)43-24-12-13-26-45(43)47(46)35-40)52-30-16-29-51-54(52)55(49)48-27-14-15-28-50(48)57(51)39-21-8-3-9-22-39;1-4-17-35(18-5-1)48(36-19-6-2-7-20-36)39-29-30-41-45(32-39)50(38-28-27-33-15-10-11-16-34(33)31-38)44-26-14-25-43-46(44)47(41)40-23-12-13-24-42(40)49(43)37-21-8-3-9-22-37;1-4-16-32(17-5-1)44-29-28-43-37-27-26-35(45(33-18-6-2-7-19-33)34-20-8-3-9-21-34)30-41(37)46(40-25-13-24-39(44)42(40)43)38-23-12-15-31-14-10-11-22-36(31)38/h1-36H;1-32H;1-27,30H,28-29H2.

What are the key properties of 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 1964.86 g/mol, XLogP of 32.94, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-naphthalen-2-yl-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;8-naphthalen-1-yl-N,N,14-triphenyl-8,14-diaza-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-5-amine;N,N,14-triphenyl-8-triphenylen-2-yl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 167623998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).