N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine

C60H38B3N5 — CID 157493167

About N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine

N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine (PubChem CID 157493167) has the molecular formula C60H38B3N5 and a molecular weight of 861.44 g/mol. Its IUPAC name is N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine.

Molecular Properties

• Compound Name: N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine
• PubChem CID: 157493167
• Molecular Formula: C60H38B3N5
• Molecular Weight: 861.44 g/mol
• Exact Mass: 861.34
• IUPAC Name: N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine
• SMILES: c1ccc(N2B3c4ccccc4N4c5ccccc5B5c6ccccc6N6c7ccccc7B7c8c(c3c4c5c86)-c3c2cc(N(c2ccccc2)c2ccccc2)cc3N7c2ccccc2)cc1
• InChI: InChI=1S/C60H38B3N5/c1-5-21-39(22-6-1)64(40-23-7-2-8-24-40)43-37-52-54-53(38-43)68(42-27-11-4-12-28-42)63-47-32-16-20-36-51(47)66-49-34-18-14-30-45(49)61-44-29-13-17-33-48(44)65-50-35-19-15-31-46(50)62(67(52)41-25-9-3-10-26-41)56-55(54)57(63)60(66)58(61)59(56)65/h1-38H
• InChIKey: ACKWJAMZEDDBPY-UHFFFAOYSA-N
• XLogP: 10.05
• TPSA: 16.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.44
LogP ≤ 5	10.05
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 N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine?

The IUPAC name of N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine (CID 157493167) is N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine.

What is the SMILES notation for N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine?

The canonical SMILES for N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine is c1ccc(N2B3c4ccccc4N4c5ccccc5B5c6ccccc6N6c7ccccc7B7c8c(c3c4c5c86)-c3c2cc(N(c2ccccc2)c2ccccc2)cc3N7c2ccccc2)cc1.

What is the InChIKey of N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine?

The InChIKey is ACKWJAMZEDDBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38B3N5/c1-5-21-39(22-6-1)64(40-23-7-2-8-24-40)43-37-52-54-53(38-43)68(42-27-11-4-12-28-42)63-47-32-16-20-36-51(47)66-49-34-18-14-30-45(49)61-44-29-13-17-33-48(44)65-50-35-19-15-31-46(50)62(67(52)41-25-9-3-10-26-41)56-55(54)57(63)60(66)58(61)59(56)65/h1-38H.

What are the key properties of N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine?

N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine has a molecular weight of 861.44 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,30,43-tetraphenyl-8,22,30,43-tetraza-1,15,29-triboradodecacyclo[33.7.1.02,7.08,41.09,14.015,40.016,21.022,39.023,28.029,38.031,36.037,42]tritetraconta-2,4,6,9,11,13,16,18,20,23,25,27,31(36),32,34,37,39,41-octadecaen-33-amine is sourced from PubChem (CID 157493167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).