8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

About 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 158076264) has the molecular formula C72H62BN3Si2 and a molecular weight of 1036.29 g/mol. Its IUPAC name is 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

Compound Name	8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
PubChem CID	158076264
Molecular Formula	C72H62BN3Si2
Molecular Weight	1036.29 g/mol
Exact Mass	1035.46
IUPAC Name	8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
SMILES	C[Si](C)(C)c1ccc2c(c1)B1c3cc([Si](C)(C)C)ccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c31)N2c1c(-c2ccccc2)cccc1-c1ccccc1
InChI	InChI=1S/C72H62BN3Si2/c1-77(2,3)58-43-45-66-64(49-58)73-65-50-59(78(4,5)6)44-46-67(65)76(72-62(53-31-17-9-18-32-53)41-26-42-63(72)54-33-19-10-20-34-54)69-48-57(74(55-35-21-11-22-36-55)56-37-23-12-24-38-56)47-68(70(69)73)75(66)71-60(51-27-13-7-14-28-51)39-25-40-61(71)52-29-15-8-16-30-52/h7-50H,1-6H3
InChIKey	IHEOKAPHTPMOOW-UHFFFAOYSA-N
XLogP	17.00
TPSA	9.72 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	11
Heavy Atoms	78
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.29
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 158076264) is 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is C[Si](C)(C)c1ccc2c(c1)B1c3cc([Si](C)(C)C)ccc3N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c31)N2c1c(-c2ccccc2)cccc1-c1ccccc1.

What is the InChIKey of 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is IHEOKAPHTPMOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H62BN3Si2/c1-77(2,3)58-43-45-66-64(49-58)73-65-50-59(78(4,5)6)44-46-67(65)76(72-62(53-31-17-9-18-32-53)41-26-42-63(72)54-33-19-10-20-34-54)69-48-57(74(55-35-21-11-22-36-55)56-37-23-12-24-38-56)47-68(70(69)73)75(66)71-60(51-27-13-7-14-28-51)39-25-40-61(71)52-29-15-8-16-30-52/h7-50H,1-6H3.

What are the key properties of 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 1036.29 g/mol, XLogP of 17.00, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(2,6-diphenylphenyl)-N,N-diphenyl-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 158076264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).