23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine

C51H33BN2O3 — CID 149310435

About 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine

23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine (PubChem CID 149310435) has the molecular formula C51H33BN2O3 and a molecular weight of 732.65 g/mol. Its IUPAC name is 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine.

Molecular Properties

• Compound Name: 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine
• PubChem CID: 149310435
• Molecular Formula: C51H33BN2O3
• Molecular Weight: 732.65 g/mol
• Exact Mass: 732.26
• IUPAC Name: 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine
• SMILES: Cc1cc2c3c(c1)Oc1c4c(c5ccccc5c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2)N(c1ccccc1)c1ccccc1O4
• InChI: InChI=1S/C51H33BN2O3/c1-32-29-43-48-44(30-32)57-50-47(38-25-13-14-26-39(38)49-51(50)56-42-28-16-15-27-40(42)54(49)35-21-9-4-10-22-35)52(48)46-37-24-12-11-23-36(37)41(31-45(46)55-43)53(33-17-5-2-6-18-33)34-19-7-3-8-20-34/h2-31H,1H3
• InChIKey: XYMVWFBRXSPOAY-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.65
LogP ≤ 5	12.07
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 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine?

The IUPAC name of 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine (CID 149310435) is 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine.

What is the SMILES notation for 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine?

The canonical SMILES for 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine is Cc1cc2c3c(c1)Oc1c4c(c5ccccc5c1B3c1c(cc(N(c3ccccc3)c3ccccc3)c3ccccc13)O2)N(c1ccccc1)c1ccccc1O4.

What is the InChIKey of 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine?

The InChIKey is XYMVWFBRXSPOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33BN2O3/c1-32-29-43-48-44(30-32)57-50-47(38-25-13-14-26-39(38)49-51(50)56-42-28-16-15-27-40(42)54(49)35-21-9-4-10-22-35)52(48)46-37-24-12-11-23-36(37)41(31-45(46)55-43)53(33-17-5-2-6-18-33)34-19-7-3-8-20-34/h2-31H,1H3.

What are the key properties of 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine?

23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine has a molecular weight of 732.65 g/mol, XLogP of 12.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 23-methyl-N,N,10-triphenyl-17,20,26-trioxa-10-aza-1-boranonacyclo[19.15.1.02,19.03,8.09,18.011,16.025,37.027,36.030,35]heptatriaconta-2(19),3,5,7,9(18),11,13,15,21,23,25(37),27(36),28,30,32,34-hexadecaen-29-amine is sourced from PubChem (CID 149310435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).