25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine

C65H41B2N5O2 — CID 156680711

About 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine

25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine (PubChem CID 156680711) has the molecular formula C65H41B2N5O2 and a molecular weight of 945.70 g/mol. Its IUPAC name is 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine.

Molecular Properties

• Compound Name: 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine
• PubChem CID: 156680711
• Molecular Formula: C65H41B2N5O2
• Molecular Weight: 945.70 g/mol
• Exact Mass: 945.34
• IUPAC Name: 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine
• SMILES: c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2nc5c(cc2B4c2ccccc2O3)B2c3ccccc3Oc3cc(-n4c6ccccc6c6ccccc64)cc(c32)N5c2ccccc2)cc1
• InChI: InChI=1S/C65H41B2N5O2/c1-5-21-42(22-6-1)69(43-23-7-2-8-24-43)46-37-56-62-60(39-46)73-58-35-19-15-31-50(58)66(62)52-41-53-65(68-64(52)71(56)44-25-9-3-10-26-44)72(45-27-11-4-12-28-45)57-38-47(40-61-63(57)67(53)51-32-16-20-36-59(51)74-61)70-54-33-17-13-29-48(54)49-30-14-18-34-55(49)70/h1-41H
• InChIKey: NQIXITRLTHEBPM-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 46.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.70
LogP ≤ 5	12.46
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 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?

The IUPAC name of 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine (CID 156680711) is 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine.

What is the SMILES notation for 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?

The canonical SMILES for 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2nc5c(cc2B4c2ccccc2O3)B2c3ccccc3Oc3cc(-n4c6ccccc6c6ccccc64)cc(c32)N5c2ccccc2)cc1.

What is the InChIKey of 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?

The InChIKey is NQIXITRLTHEBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41B2N5O2/c1-5-21-42(22-6-1)69(43-23-7-2-8-24-43)46-37-56-62-60(39-46)73-58-35-19-15-31-50(58)66(62)52-41-53-65(68-64(52)71(56)44-25-9-3-10-26-44)72(45-27-11-4-12-28-45)57-38-47(40-61-63(57)67(53)51-32-16-20-36-59(51)74-61)70-54-33-17-13-29-48(54)49-30-14-18-34-55(49)70/h1-41H.

What are the key properties of 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine?

25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine has a molecular weight of 945.70 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 25-carbazol-9-yl-N,N,18,22-tetraphenyl-12,28-dioxa-18,20,22-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13,15,17(36),20,23(35),24,26,29,31,33-pentadecaen-15-amine is sourced from PubChem (CID 156680711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).