8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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 168784535) has the molecular formula C90H62BN3O2Si2 and a molecular weight of 1284.49 g/mol. Its IUPAC name is 8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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	168784535
Molecular Formula	C90H62BN3O2Si2
Molecular Weight	1284.49 g/mol
Exact Mass	1283.45
IUPAC Name	8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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	c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccc5c(c2)oc2ccccc25)c2cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc2B4c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2N3c2ccc3c(c2)oc2ccccc23)cc1
InChI	InChI=1S/C90H62BN3O2Si2/c1-9-29-63(30-10-1)92(64-31-11-2-12-32-64)67-57-84-90-85(58-67)94(66-50-54-79-77-46-26-28-48-87(77)96-89(79)60-66)83-62-75(98(71-39-19-6-20-40-71,72-41-21-7-22-42-72)73-43-23-8-24-44-73)52-56-81(83)91(90)80-55-51-74(61-82(80)93(84)65-49-53-78-76-45-25-27-47-86(76)95-88(78)59-65)97(68-33-13-3-14-34-68,69-35-15-4-16-36-69)70-37-17-5-18-38-70/h1-62H
InChIKey	ANMPEILGOHJYSL-UHFFFAOYSA-N
XLogP	15.79
TPSA	36.00 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	13
Heavy Atoms	98
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1284.49
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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 168784535) is 8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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 c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccc5c(c2)oc2ccccc25)c2cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)ccc2B4c2ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc2N3c2ccc3c(c2)oc2ccccc23)cc1.

What is the InChIKey of 8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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 ANMPEILGOHJYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62BN3O2Si2/c1-9-29-63(30-10-1)92(64-31-11-2-12-32-64)67-57-84-90-85(58-67)94(66-50-54-79-77-46-26-28-48-87(77)96-89(79)60-66)83-62-75(98(71-39-19-6-20-40-71,72-41-21-7-22-42-72)73-43-23-8-24-44-73)52-56-81(83)91(90)80-55-51-74(61-82(80)93(84)65-49-53-78-76-45-25-27-47-86(76)95-88(78)59-65)97(68-33-13-3-14-34-68,69-35-15-4-16-36-69)70-37-17-5-18-38-70/h1-62H.

What are the key properties of 8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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 1284.49 g/mol, XLogP of 15.79, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-di(dibenzofuran-3-yl)-N,N-diphenyl-5,17-bis(triphenylsilyl)-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 168784535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).