8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

About 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 158933757) has the molecular formula C65H62BN3Si2 and a molecular weight of 952.22 g/mol. Its IUPAC name is 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

Compound Name	8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
PubChem CID	158933757
Molecular Formula	C65H62BN3Si2
Molecular Weight	952.22 g/mol
Exact Mass	951.46
IUPAC Name	8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
SMILES	CC(C)(C)c1cc(N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c(cccc5[Si](c5ccccc5)(c5ccccc5)c5cccc2c53)N4c2ccc([Si](C)(C)C)cc2)cc(C(C)(C)C)c1
InChI	InChI=1S/C65H62BN3Si2/c1-64(2,3)45-40-46(65(4,5)6)42-50(41-45)69-56-33-23-35-60-63(56)66-61-57(43-51(44-58(61)69)67(47-24-14-10-15-25-47)48-26-16-11-17-27-48)68(49-36-38-52(39-37-49)70(7,8)9)55-32-22-34-59(62(55)66)71(60,53-28-18-12-19-29-53)54-30-20-13-21-31-54/h10-44H,1-9H3
InChIKey	NCTCBECSUVGHHJ-UHFFFAOYSA-N
XLogP	12.07
TPSA	9.72 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	8
Heavy Atoms	71
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.22
LogP ≤ 5	12.07
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-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 158933757) is 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is CC(C)(C)c1cc(N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c(cccc5[Si](c5ccccc5)(c5ccccc5)c5cccc2c53)N4c2ccc([Si](C)(C)C)cc2)cc(C(C)(C)C)c1.

What is the InChIKey of 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is NCTCBECSUVGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H62BN3Si2/c1-64(2,3)45-40-46(65(4,5)6)42-50(41-45)69-56-33-23-35-60-63(56)66-61-57(43-51(44-58(61)69)67(47-24-14-10-15-25-47)48-26-16-11-17-27-48)68(49-36-38-52(39-37-49)70(7,8)9)55-32-22-34-59(62(55)66)71(60,53-28-18-12-19-29-53)54-30-20-13-21-31-54/h10-44H,1-9H3.

What are the key properties of 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 952.22 g/mol, XLogP of 12.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-ditert-butylphenyl)-N,N,22,22-tetraphenyl-14-(4-trimethylsilylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 158933757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).