19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene

C83H56B2N4 — CID 163240058

About 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene

19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene (PubChem CID 163240058) has the molecular formula C83H56B2N4 and a molecular weight of 1131.01 g/mol. Its IUPAC name is 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene.

Molecular Properties

• Compound Name: 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene
• PubChem CID: 163240058
• Molecular Formula: C83H56B2N4
• Molecular Weight: 1131.01 g/mol
• Exact Mass: 1130.47
• IUPAC Name: 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene
• SMILES: CC1(C)c2cccc3c2B(c2ccc4c(c21)c1ccccc1n4-c1ccccc1)c1cccc2c4ccccc4n-3c12.CC1(c2ccccc2)c2cccc3c2B(c2ccc4c(c21)c1ccccc1n4-c1ccccc1)c1cccc2c4ccccc4n-3c12
• InChI: InChI=1S/C44H29BN2.C39H27BN2/c1-44(28-14-4-2-5-15-28)33-21-13-25-39-42(33)45(35-22-12-20-31-30-18-8-10-23-36(30)47(39)43(31)35)34-26-27-38-40(41(34)44)32-19-9-11-24-37(32)46(38)29-16-6-3-7-17-29;1-39(2)28-17-11-21-34-37(28)40(30-18-10-16-26-25-14-6-8-19-31(25)42(34)38(26)30)29-22-23-33-35(36(29)39)27-15-7-9-20-32(27)41(33)24-12-4-3-5-13-24/h2-27H,1H3;3-23H,1-2H3
• InChIKey: LEYKOJOXVCMPFY-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1131.01
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene?

The IUPAC name of 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene (CID 163240058) is 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene.

What is the SMILES notation for 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene?

The canonical SMILES for 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene is CC1(C)c2cccc3c2B(c2ccc4c(c21)c1ccccc1n4-c1ccccc1)c1cccc2c4ccccc4n-3c12.CC1(c2ccccc2)c2cccc3c2B(c2ccc4c(c21)c1ccccc1n4-c1ccccc1)c1cccc2c4ccccc4n-3c12.

What is the InChIKey of 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene?

The InChIKey is LEYKOJOXVCMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29BN2.C39H27BN2/c1-44(28-14-4-2-5-15-28)33-21-13-25-39-42(33)45(35-22-12-20-31-30-18-8-10-23-36(30)47(39)43(31)35)34-26-27-38-40(41(34)44)32-19-9-11-24-37(32)46(38)29-16-6-3-7-17-29;1-39(2)28-17-11-21-34-37(28)40(30-18-10-16-26-25-14-6-8-19-31(25)42(34)38(26)30)29-22-23-33-35(36(29)39)27-15-7-9-20-32(27)41(33)24-12-4-3-5-13-24/h2-27H,1H3;3-23H,1-2H3.

What are the key properties of 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene?

19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene has a molecular weight of 1131.01 g/mol, XLogP of 15.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 19,19-dimethyl-28-phenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene;19-methyl-19,28-diphenyl-13,28-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.021,29.022,27.013,34]tetratriaconta-2(34),3,5,7,9,11,14,16,18(33),20(32),21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 163240058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).