N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine

About N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine

N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine (PubChem CID 167377915) has the molecular formula C54H35BN4 and a molecular weight of 750.71 g/mol. Its IUPAC name is N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine.

Molecular Properties

Compound Name	N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine
PubChem CID	167377915
Molecular Formula	C54H35BN4
Molecular Weight	750.71 g/mol
Exact Mass	750.30
IUPAC Name	N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine
SMILES	c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)c2cccc3c4ccccc4n5c32)cc1
InChI	InChI=1S/C54H35BN4/c1-5-18-36(19-6-1)56(37-20-7-2-8-21-37)40-32-51-53-52(33-40)58(39-24-11-4-12-25-39)50-35-49-44(43-28-17-27-42-41-26-13-15-30-47(41)59(49)54(42)43)34-46(50)55(53)45-29-14-16-31-48(45)57(51)38-22-9-3-10-23-38/h1-35H
InChIKey	BLUVAXKGDCAZTE-UHFFFAOYSA-N
XLogP	12.39
TPSA	14.13 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	59
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.71
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine?

The IUPAC name of N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine (CID 167377915) is N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine.

What is the SMILES notation for N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine?

The canonical SMILES for N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine is c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)c2cccc3c4ccccc4n5c32)cc1.

What is the InChIKey of N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine?

The InChIKey is BLUVAXKGDCAZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35BN4/c1-5-18-36(19-6-1)56(37-20-7-2-8-21-37)40-32-51-53-52(33-40)58(39-24-11-4-12-25-39)50-35-49-44(43-28-17-27-42-41-26-13-15-30-47(41)59(49)54(42)43)34-46(50)55(53)45-29-14-16-31-48(45)57(51)38-22-9-3-10-23-38/h1-35H.

What are the key properties of N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine?

N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine has a molecular weight of 750.71 g/mol, XLogP of 12.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,20,26-tetraphenyl-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21,23,25(33),27,29,31-pentadecaen-23-amine is sourced from PubChem (CID 167377915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).