14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

C164H127B5N6 — CID 160975054

About 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (PubChem CID 160975054) has the molecular formula C164H127B5N6 and a molecular weight of 2235.92 g/mol. Its IUPAC name is 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
• PubChem CID: 160975054
• Molecular Formula: C164H127B5N6
• Molecular Weight: 2235.92 g/mol
• Exact Mass: 2235.06
• IUPAC Name: 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2N2c3cc(-c4ccc5ccccc5c4)ccc3B(c3ccccc3)c3cccc1c32.CC1(C)c2ccccc2N2c3cc(-c4cccnc4)ccc3B(c3ccccc3)c3cccc1c32.CC1(C)c2ccccc2N2c3ccccc3B(c3cc4ccccc4c4ccccc34)c3cccc1c32.CC1(C)c2ccccc2N2c3ccccc3B(c3ccc(-c4ccccc4)cc3)c3cccc1c32.CC1(C)c2ccccc2N2c3ccccc3B(c3ccccc3)c3cccc1c32
• InChI: InChI=1S/C37H28BN.C35H26BN.C33H26BN.C32H25BN2.C27H22BN/c1-37(2)30-15-8-9-18-34(30)39-35-24-28(27-20-19-25-11-6-7-12-26(25)23-27)21-22-32(35)38(29-13-4-3-5-14-29)33-17-10-16-31(37)36(33)39;1-35(2)27-16-7-9-20-32(27)37-33-21-10-8-18-29(33)36(30-19-11-17-28(35)34(30)37)31-22-23-12-3-4-13-24(23)25-14-5-6-15-26(25)31;1-33(2)26-13-6-8-17-30(26)35-31-18-9-7-15-28(31)34(29-16-10-14-27(33)32(29)35)25-21-19-24(20-22-25)23-11-4-3-5-12-23;1-32(2)25-13-6-7-16-29(25)35-30-20-22(23-10-9-19-34-21-23)17-18-27(30)33(24-11-4-3-5-12-24)28-15-8-14-26(32)31(28)35;1-27(2)20-13-6-8-17-24(20)29-25-18-9-7-15-22(25)28(19-11-4-3-5-12-19)23-16-10-14-21(27)26(23)29/h3-24H,1-2H3;3-22H,1-2H3;3-22H,1-2H3;3-21H,1-2H3;3-18H,1-2H3
• InChIKey: SYTDXEAMVUGAPZ-UHFFFAOYSA-N
• XLogP: 30.98
• TPSA: 29.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2235.92
LogP ≤ 5	30.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The IUPAC name of 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (CID 160975054) is 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

What is the SMILES notation for 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The canonical SMILES for 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is CC1(C)c2ccccc2N2c3cc(-c4ccc5ccccc5c4)ccc3B(c3ccccc3)c3cccc1c32.CC1(C)c2ccccc2N2c3cc(-c4cccnc4)ccc3B(c3ccccc3)c3cccc1c32.CC1(C)c2ccccc2N2c3ccccc3B(c3cc4ccccc4c4ccccc34)c3cccc1c32.CC1(C)c2ccccc2N2c3ccccc3B(c3ccc(-c4ccccc4)cc3)c3cccc1c32.CC1(C)c2ccccc2N2c3ccccc3B(c3ccccc3)c3cccc1c32.

What is the InChIKey of 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

The InChIKey is SYTDXEAMVUGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28BN.C35H26BN.C33H26BN.C32H25BN2.C27H22BN/c1-37(2)30-15-8-9-18-34(30)39-35-24-28(27-20-19-25-11-6-7-12-26(25)23-27)21-22-32(35)38(29-13-4-3-5-14-29)33-17-10-16-31(37)36(33)39;1-35(2)27-16-7-9-20-32(27)37-33-21-10-8-18-29(33)36(30-19-11-17-28(35)34(30)37)31-22-23-12-3-4-13-24(23)25-14-5-6-15-26(25)31;1-33(2)26-13-6-8-17-30(26)35-31-18-9-7-15-28(31)34(29-16-10-14-27(33)32(29)35)25-21-19-24(20-22-25)23-11-4-3-5-12-23;1-32(2)25-13-6-7-16-29(25)35-30-20-22(23-10-9-19-34-21-23)17-18-27(30)33(24-11-4-3-5-12-24)28-15-8-14-26(32)31(28)35;1-27(2)20-13-6-8-17-24(20)29-25-18-9-7-15-22(25)28(19-11-4-3-5-12-19)23-16-10-14-21(27)26(23)29/h3-24H,1-2H3;3-22H,1-2H3;3-22H,1-2H3;3-21H,1-2H3;3-18H,1-2H3.

What are the key properties of 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?

14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene has a molecular weight of 2235.92 g/mol, XLogP of 30.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14,14-dimethyl-4-naphthalen-2-yl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenanthren-9-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-(4-phenylphenyl)-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;14,14-dimethyl-8-phenyl-4-pyridin-3-yl-1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 160975054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).