15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine

C74H42BN3O4 — CID 148516324

About 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine

15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine (PubChem CID 148516324) has the molecular formula C74H42BN3O4 and a molecular weight of 1047.98 g/mol. Its IUPAC name is 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine.

Molecular Properties

• Compound Name: 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine
• PubChem CID: 148516324
• Molecular Formula: C74H42BN3O4
• Molecular Weight: 1047.98 g/mol
• Exact Mass: 1047.33
• IUPAC Name: 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine
• SMILES: c1ccc2c(N(c3cc4c5c(c3)N(c3ccc6oc7ccccc7c6c3)c3cc6c(cc3B5c3cc5oc7ccccc7c5cc3N4c3ccc4oc5ccccc5c4c3)oc3ccccc36)c3cccc4ccccc34)cccc2c1
• InChI: InChI=1S/C74H42BN3O4/c1-3-19-48-43(15-1)17-13-25-60(48)78(61-26-14-18-44-16-2-4-20-49(44)61)47-37-64-74-65(38-47)77(46-32-34-71-55(36-46)51-22-6-10-28-67(51)80-71)63-40-57-53-24-8-12-30-69(53)82-73(57)42-59(63)75(74)58-41-72-56(52-23-7-11-29-68(52)81-72)39-62(58)76(64)45-31-33-70-54(35-45)50-21-5-9-27-66(50)79-70/h1-42H
• InChIKey: MNMVRLIJBDEFHO-UHFFFAOYSA-N
• XLogP: 19.14
• TPSA: 62.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.98
LogP ≤ 5	19.14
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 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine?

The IUPAC name of 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine (CID 148516324) is 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine.

What is the SMILES notation for 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine?

The canonical SMILES for 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine is c1ccc2c(N(c3cc4c5c(c3)N(c3ccc6oc7ccccc7c6c3)c3cc6c(cc3B5c3cc5oc7ccccc7c5cc3N4c3ccc4oc5ccccc5c4c3)oc3ccccc36)c3cccc4ccccc34)cccc2c1.

What is the InChIKey of 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine?

The InChIKey is MNMVRLIJBDEFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42BN3O4/c1-3-19-48-43(15-1)17-13-25-60(48)78(61-26-14-18-44-16-2-4-20-49(44)61)47-37-64-74-65(38-47)77(46-32-34-71-55(36-46)51-22-6-10-28-67(51)80-71)63-40-57-53-24-8-12-30-69(53)82-73(57)42-59(63)75(74)58-41-72-56(52-23-7-11-29-68(52)81-72)39-62(58)76(64)45-31-33-70-54(35-45)50-21-5-9-27-66(50)79-70/h1-42H.

What are the key properties of 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine?

15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine has a molecular weight of 1047.98 g/mol, XLogP of 19.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 15,21-di(dibenzofuran-2-yl)-N,N-dinaphthalen-1-yl-5,31-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.06,11.016,35.022,34.024,32.025,30]pentatriaconta-2,4(12),6,8,10,13,16,18,20(35),22,24(32),25,27,29,33-pentadecaen-18-amine is sourced from PubChem (CID 148516324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).