18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene

C42H25BN2O — CID 142543663

About 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene

18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene (PubChem CID 142543663) has the molecular formula C42H25BN2O and a molecular weight of 584.49 g/mol. Its IUPAC name is 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene.

Molecular Properties

• Compound Name: 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene
• PubChem CID: 142543663
• Molecular Formula: C42H25BN2O
• Molecular Weight: 584.49 g/mol
• Exact Mass: 584.21
• IUPAC Name: 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene
• SMILES: c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5oc6cccc(c6c35)N2c2ccc(-c3ccccc3)cc2-4)cc1
• InChI: InChI=1S/C42H25BN2O/c1-3-10-26(11-4-1)28-20-22-34-32(24-28)30-14-7-15-31-33-25-29(27-12-5-2-6-13-27)21-23-35(33)45-37-17-9-19-39-41(37)40-36(16-8-18-38(40)46-39)44(34)43(45)42(30)31/h1-25H
• InChIKey: YCEXLJPYZUHVMV-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.49
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene?

The IUPAC name of 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene (CID 142543663) is 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene.

What is the SMILES notation for 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene?

The canonical SMILES for 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene is c1ccc(-c2ccc3c(c2)-c2cccc4c2B2N3c3cccc5oc6cccc(c6c35)N2c2ccc(-c3ccccc3)cc2-4)cc1.

What is the InChIKey of 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene?

The InChIKey is YCEXLJPYZUHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25BN2O/c1-3-10-26(11-4-1)28-20-22-34-32(24-28)30-14-7-15-31-33-25-29(27-12-5-2-6-13-27)21-23-35(33)45-37-17-9-19-39-41(37)40-36(16-8-18-38(40)46-39)44(34)43(45)42(30)31/h1-25H.

What are the key properties of 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene?

18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene has a molecular weight of 584.49 g/mol, XLogP of 10.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18,28-diphenyl-34-oxa-1,14-diaza-32-boranonacyclo[19.10.2.16,9.02,7.08,13.014,32.015,20.025,33.026,31]tetratriaconta-2(7),3,5,8(13),9,11,15(20),16,18,21,23,25(33),26(31),27,29-pentadecaene is sourced from PubChem (CID 142543663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).