11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene

C92H56B2N2 — CID 158321135

About 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene

11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene (PubChem CID 158321135) has the molecular formula C92H56B2N2 and a molecular weight of 1211.10 g/mol. Its IUPAC name is 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene
• PubChem CID: 158321135
• Molecular Formula: C92H56B2N2
• Molecular Weight: 1211.10 g/mol
• Exact Mass: 1210.46
• IUPAC Name: 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene
• SMILES: c1ccc(-c2cc3c4c(c2)c2cc(-c5ccccc5)cc5c2n4B(c2ccccc2-3)c2cc(-c3ccc4ccccc4c3)ccc2-5)cc1.c1ccc(-c2cc3c4c(c2)c2cc(-c5ccccc5)cc5c2n4B(c2ccccc2-3)c2cc(-c3cccc4ccccc34)ccc2-5)cc1
• InChI: InChI=1S/2C46H28BN/c1-3-12-29(13-4-1)33-24-39-37-19-9-10-21-43(37)47-44-28-32(36-20-11-17-31-16-7-8-18-35(31)36)22-23-38(44)40-25-34(30-14-5-2-6-15-30)27-42-41(26-33)45(39)48(47)46(40)42;1-3-11-29(12-4-1)35-24-39-37-17-9-10-18-43(37)47-44-28-34(33-20-19-31-15-7-8-16-32(31)23-33)21-22-38(44)40-25-36(30-13-5-2-6-14-30)27-42-41(26-35)45(39)48(47)46(40)42/h2*1-28H
• InChIKey: GOWCKMBZOJGFAV-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1211.10
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

The IUPAC name of 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene (CID 158321135) is 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene.

What is the SMILES notation for 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

The canonical SMILES for 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene is c1ccc(-c2cc3c4c(c2)c2cc(-c5ccccc5)cc5c2n4B(c2ccccc2-3)c2cc(-c3ccc4ccccc4c3)ccc2-5)cc1.c1ccc(-c2cc3c4c(c2)c2cc(-c5ccccc5)cc5c2n4B(c2ccccc2-3)c2cc(-c3cccc4ccccc34)ccc2-5)cc1.

What is the InChIKey of 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

The InChIKey is GOWCKMBZOJGFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28BN/c1-3-12-29(13-4-1)33-24-39-37-19-9-10-21-43(37)47-44-28-32(36-20-11-17-31-16-7-8-18-35(31)36)22-23-38(44)40-25-34(30-14-5-2-6-15-30)27-42-41(26-33)45(39)48(47)46(40)42;1-3-11-29(12-4-1)35-24-39-37-17-9-10-18-43(37)47-44-28-34(33-20-19-31-15-7-8-16-32(31)23-33)21-22-38(44)40-25-36(30-13-5-2-6-14-30)27-42-41(26-35)45(39)48(47)46(40)42/h2*1-28H.

What are the key properties of 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene has a molecular weight of 1211.10 g/mol, XLogP of 21.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-naphthalen-1-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene;11-naphthalen-2-yl-5,23-diphenyl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 158321135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).