N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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

C51H38BNO3Si — CID 153317419

IUPACN-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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
SMILESC[Si](C)(C)c1cccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C51H38BNO3Si/c1-57(2,3)39-19-12-18-37(30-39)53(44-22-13-21-41-40-20-10-11-23-45(40)56-51(41)44)38-31-48-50-49(32-38)55-47-29-36(34-16-8-5-9-17-34)25-27-43(47)52(50)42-26-24-35(28-46(42)54-48)33-14-6-4-7-15-33/h4-32H,1-3H3
InChIKeyQUWXUMUFWBWOAA-UHFFFAOYSA-N
MW751.77 g/mol
LogP11.66
Rot. Bonds6

About N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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

N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 153317419) has the molecular formula C51H38BNO3Si and a molecular weight of 751.77 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 NameN-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 CID153317419
Molecular FormulaC51H38BNO3Si
Molecular Weight751.77 g/mol
Exact Mass751.27
IUPAC NameN-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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
SMILESC[Si](C)(C)c1cccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C51H38BNO3Si/c1-57(2,3)39-19-12-18-37(30-39)53(44-22-13-21-41-40-20-10-11-23-45(40)56-51(41)44)38-31-48-50-49(32-38)55-47-29-36(34-16-8-5-9-17-34)25-27-43(47)52(50)42-26-24-35(28-46(42)54-48)33-14-6-4-7-15-33/h4-32H,1-3H3
InChIKeyQUWXUMUFWBWOAA-UHFFFAOYSA-N
XLogP11.66
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.77
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 with MolForge

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Related Compounds

N-dibenzofuran-4-yl-N-(2-methylphenyl)-5,17-diphenyl-8,14-dioxa-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 149226486
N-dibenzofuran-4-yl-N-phenyl-5,17-di(propan-2-yl)-8,14-dioxa-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 159612332
5-N,17-N-di(dibenzofuran-4-yl)-5-N,17-N-bis(4-methylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5,17-diamine
CID 144879117
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-dibenzofuran-4-yl-N-(3-phenyldibenzofuran-4-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 171728187
N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-4-amine
CID 159714421
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 153317419) is N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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)c1cccc(N(c2cc3c4c(c2)Oc2cc(-c5ccccc5)ccc2B4c2ccc(-c4ccccc4)cc2O3)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 QUWXUMUFWBWOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38BNO3Si/c1-57(2,3)39-19-12-18-37(30-39)53(44-22-13-21-41-40-20-10-11-23-45(40)56-51(41)44)38-31-48-50-49(32-38)55-47-29-36(34-16-8-5-9-17-34)25-27-43(47)52(50)42-26-24-35(28-46(42)54-48)33-14-6-4-7-15-33/h4-32H,1-3H3.
What are the key properties of N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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?
N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 751.77 g/mol, XLogP of 11.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-5,17-diphenyl-N-(3-trimethylsilylphenyl)-8,14-dioxa-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 153317419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).