N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C214H156B4N4O8 — CID 163809488

About N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 163809488) has the molecular formula C214H156B4N4O8 and a molecular weight of 2954.87 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 163809488
• Molecular Formula: C214H156B4N4O8
• Molecular Weight: 2954.87 g/mol
• Exact Mass: 2953.23
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)Oc2cc(-c5ccc6ccccc6c5)ccc2B4c2ccc(-c4ccc5ccccc5c4)cc2O3)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)Oc3cc(-c6ccccc6)ccc3B5c3ccc(-c5ccccc5)cc3O4)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Oc2cc(-c5ccc6ccccc6c5)ccc2B4c2ccc(-c4ccc5ccccc5c4)cc2O3)cc1
• InChI: InChI=1S/C58H48BNO2.C54H36BNO2.C52H40BNO2.C50H32BNO2/c1-57(2,3)45-21-25-47(26-22-45)60(48-27-23-46(24-28-48)58(4,5)6)49-35-54-56-55(36-49)62-53-34-44(42-18-16-38-12-8-10-14-40(38)32-42)20-30-51(53)59(56)50-29-19-43(33-52(50)61-54)41-17-15-37-11-7-9-13-39(37)31-41;1-5-13-37(14-6-1)41-21-27-45(28-22-41)56(46-29-23-42(24-30-46)38-15-7-2-8-16-38)47-35-52-54-53(36-47)58-51-34-44(40-19-11-4-12-20-40)26-32-49(51)55(54)48-31-25-43(33-50(48)57-52)39-17-9-3-10-18-39;1-52(2,3)41-23-27-43(28-24-41)54(42-25-19-38(20-26-42)35-13-7-4-8-14-35)44-33-49-51-50(34-44)56-48-32-40(37-17-11-6-12-18-37)22-30-46(48)53(51)45-29-21-39(31-47(45)55-49)36-15-9-5-10-16-36;1-3-15-41(16-4-1)52(42-17-5-2-6-18-42)43-31-48-50-49(32-43)54-47-30-40(38-22-20-34-12-8-10-14-36(34)28-38)24-26-45(47)51(50)44-25-23-39(29-46(44)53-48)37-21-19-33-11-7-9-13-35(33)27-37/h7-36H,1-6H3;1-36H;4-34H,1-3H3;1-32H
• InChIKey: NLZOQLVESQQCCU-UHFFFAOYSA-N
• XLogP: 50.38
• TPSA: 86.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2954.87
LogP ≤ 5	50.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 163809488) is N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)Oc2cc(-c5ccc6ccccc6c5)ccc2B4c2ccc(-c4ccc5ccccc5c4)cc2O3)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c3)Oc3cc(-c6ccccc6)ccc3B5c3ccc(-c5ccccc5)cc3O4)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Oc2cc(-c5ccc6ccccc6c5)ccc2B4c2ccc(-c4ccc5ccccc5c4)cc2O3)cc1.

What is the InChIKey of N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is NLZOQLVESQQCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48BNO2.C54H36BNO2.C52H40BNO2.C50H32BNO2/c1-57(2,3)45-21-25-47(26-22-45)60(48-27-23-46(24-28-48)58(4,5)6)49-35-54-56-55(36-49)62-53-34-44(42-18-16-38-12-8-10-14-40(38)32-42)20-30-51(53)59(56)50-29-19-43(33-52(50)61-54)41-17-15-37-11-7-9-13-39(37)31-41;1-5-13-37(14-6-1)41-21-27-45(28-22-41)56(46-29-23-42(24-30-46)38-15-7-2-8-16-38)47-35-52-54-53(36-47)58-51-34-44(40-19-11-4-12-20-40)26-32-49(51)55(54)48-31-25-43(33-50(48)57-52)39-17-9-3-10-18-39;1-52(2,3)41-23-27-43(28-24-41)54(42-25-19-38(20-26-42)35-13-7-4-8-14-35)44-33-49-51-50(34-44)56-48-32-40(37-17-11-6-12-18-37)22-30-46(48)53(51)45-29-21-39(31-47(45)55-49)36-15-9-5-10-16-36;1-3-15-41(16-4-1)52(42-17-5-2-6-18-42)43-31-48-50-49(32-43)54-47-30-40(38-22-20-34-12-8-10-14-36(34)28-38)24-26-45(47)51(50)44-25-23-39(29-46(44)53-48)37-21-19-33-11-7-9-13-35(33)27-37/h7-36H,1-6H3;1-36H;4-34H,1-3H3;1-32H.

What are the key properties of N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 2954.87 g/mol, XLogP of 50.38, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-5,17-dinaphthalen-2-yl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;N-(4-tert-butylphenyl)-5,17-diphenyl-N-(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-dinaphthalen-2-yl-N,N-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine;5,17-diphenyl-N,N-bis(4-phenylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 163809488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).