8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

C74H52BN5 — CID 140965981

About 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine

8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (PubChem CID 140965981) has the molecular formula C74H52BN5 and a molecular weight of 1022.08 g/mol. Its IUPAC name is 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.

Molecular Properties

• Compound Name: 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
• PubChem CID: 140965981
• Molecular Formula: C74H52BN5
• Molecular Weight: 1022.08 g/mol
• Exact Mass: 1021.43
• IUPAC Name: 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2cccc4ccccc24)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2cccc3ccccc23)cc1
• InChI: InChI=1S/C74H52BN5/c1-7-29-55(30-8-1)76(56-31-9-2-10-32-56)61-45-47-66-70(49-61)79(68-43-23-27-53-25-19-21-41-64(53)68)72-51-63(78(59-37-15-5-16-38-59)60-39-17-6-18-40-60)52-73-74(72)75(66)67-48-46-62(77(57-33-11-3-12-34-57)58-35-13-4-14-36-58)50-71(67)80(73)69-44-24-28-54-26-20-22-42-65(54)69/h1-52H
• InChIKey: QBFLFPICVZECBD-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 16.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.08
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

The IUPAC name of 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine (CID 140965981) is 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine.

What is the SMILES notation for 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

The canonical SMILES for 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2cccc4ccccc24)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2cccc3ccccc23)cc1.

What is the InChIKey of 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

The InChIKey is QBFLFPICVZECBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52BN5/c1-7-29-55(30-8-1)76(56-31-9-2-10-32-56)61-45-47-66-70(49-61)79(68-43-23-27-53-25-19-21-41-64(53)68)72-51-63(78(59-37-15-5-16-38-59)60-39-17-6-18-40-60)52-73-74(72)75(66)67-48-46-62(77(57-33-11-3-12-34-57)58-35-13-4-14-36-58)50-71(67)80(73)69-44-24-28-54-26-20-22-42-65(54)69/h1-52H.

What are the key properties of 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine?

8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine has a molecular weight of 1022.08 g/mol, XLogP of 18.49, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-dinaphthalen-1-yl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine is sourced from PubChem (CID 140965981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).