12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C147H120B5N7 — CID 158338315

About 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 158338315) has the molecular formula C147H120B5N7 and a molecular weight of 2038.69 g/mol. Its IUPAC name is 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 158338315
• Molecular Formula: C147H120B5N7
• Molecular Weight: 2038.69 g/mol
• Exact Mass: 2038.01
• IUPAC Name: 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: Cc1cc(C)c(B2c3cc(C)ccc3N3c4ccc(C)cc4B(c4c(C)cc(C)cc4C)c4cc(C)cc2c43)c(C)c1.Cc1cc(C)c(N2c3ccc(C)cc3B(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C)c1.c1ccc(N2c3cccc4c3B(c3ccc5ccccc5c32)c2ccc3ccccc3c2N4c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc1
• InChI: InChI=1S/C40H35BN2.C39H39B2N.C38H25BN2.C30H21BN2/c1-28-20-22-38-36(26-28)41(32-14-8-5-9-15-32)37-27-35(42(33-16-10-6-11-17-33)34-18-12-7-13-19-34)21-23-39(37)43(38)40-30(3)24-29(2)25-31(40)4;1-22-10-12-35-31(18-22)40(37-27(6)14-24(3)15-28(37)7)33-20-26(5)21-34-39(33)42(35)36-13-11-23(2)19-32(36)41(34)38-29(8)16-25(4)17-30(38)9;1-3-14-28(15-4-1)40-34-20-11-21-35-36(34)39(32-24-22-26-12-7-9-18-30(26)37(32)40)33-25-23-27-13-8-10-19-31(27)38(33)41(35)29-16-5-2-6-17-29;1-3-12-22(13-4-1)32-26-18-9-7-16-24(26)31-25-17-8-10-19-27(25)33(23-14-5-2-6-15-23)29-21-11-20-28(32)30(29)31/h5-27H,1-4H3;10-21H,1-9H3;1-25H;1-21H
• InChIKey: GQVYKFDGWQELRE-UHFFFAOYSA-N
• XLogP: 28.13
• TPSA: 22.68 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2038.69
LogP ≤ 5	28.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 158338315) is 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is Cc1cc(C)c(B2c3cc(C)ccc3N3c4ccc(C)cc4B(c4c(C)cc(C)cc4C)c4cc(C)cc2c43)c(C)c1.Cc1cc(C)c(N2c3ccc(C)cc3B(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(C)c1.c1ccc(N2c3cccc4c3B(c3ccc5ccccc5c32)c2ccc3ccccc3c2N4c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4cccc2c43)cc1.

What is the InChIKey of 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is GQVYKFDGWQELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35BN2.C39H39B2N.C38H25BN2.C30H21BN2/c1-28-20-22-38-36(26-28)41(32-14-8-5-9-15-32)37-27-35(42(33-16-10-6-11-17-33)34-18-12-7-13-19-34)21-23-39(37)43(38)40-30(3)24-29(2)25-31(40)4;1-22-10-12-35-31(18-22)40(37-27(6)14-24(3)15-28(37)7)33-20-26(5)21-34-39(33)42(35)36-13-11-23(2)19-32(36)41(34)38-29(8)16-25(4)17-30(38)9;1-3-14-28(15-4-1)40-34-20-11-21-35-36(34)39(32-24-22-26-12-7-9-18-30(26)37(32)40)33-25-23-27-13-8-10-19-31(27)38(33)41(35)29-16-5-2-6-17-29;1-3-12-22(13-4-1)32-26-18-9-7-16-24(26)31-25-17-8-10-19-27(25)33(23-14-5-2-6-15-23)29-21-11-20-28(32)30(29)31/h5-27H,1-4H3;10-21H,1-9H3;1-25H;1-21H.

What are the key properties of 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 2038.69 g/mol, XLogP of 28.13, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 158338315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).