N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

About N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 149304881) has the molecular formula C51H40BN3OSi and a molecular weight of 749.80 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound Name	N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID	149304881
Molecular Formula	C51H40BN3OSi
Molecular Weight	749.80 g/mol
Exact Mass	749.30
IUPAC Name	N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILES	C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc1B3c1ccccc1N2c1ccccc1
InChI	InChI=1S/C51H40BN3OSi/c1-57(2,3)40-33-47-51-48(34-40)55(37-21-11-6-12-22-37)46-32-39(27-29-44(46)52(51)43-24-14-15-25-45(43)54(47)36-19-9-5-10-20-36)53(35-17-7-4-8-18-35)38-28-30-50-42(31-38)41-23-13-16-26-49(41)56-50/h4-34H,1-3H3
InChIKey	XXLWFJWPZWUUKC-UHFFFAOYSA-N
XLogP	11.68
TPSA	22.86 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	57
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.80
LogP ≤ 5	11.68
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-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 149304881) is N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1)c1cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)ccc1B3c1ccccc1N2c1ccccc1.

What is the InChIKey of N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is XXLWFJWPZWUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40BN3OSi/c1-57(2,3)40-33-47-51-48(34-40)55(37-21-11-6-12-22-37)46-32-39(27-29-44(46)52(51)43-24-14-15-25-45(43)54(47)36-19-9-5-10-20-36)53(35-17-7-4-8-18-35)38-28-30-50-42(31-38)41-23-13-16-26-49(41)56-50/h4-34H,1-3H3.

What are the key properties of N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 749.80 g/mol, XLogP of 11.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-2-yl-N,8,14-triphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 149304881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).