8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene

About 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene

8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene (PubChem CID 161283258) has the molecular formula C63H51BN2O2Si and a molecular weight of 907.01 g/mol. Its IUPAC name is 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene.

Molecular Properties

Compound Name	8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene
PubChem CID	161283258
Molecular Formula	C63H51BN2O2Si
Molecular Weight	907.01 g/mol
Exact Mass	906.38
IUPAC Name	8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene
SMILES	Cc1cc2c3c(c1)N(c1cccc4c1oc1c(C(C)(C)C)cccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1cccc2c1oc1c(C(C)(C)C)cccc12
InChI	InChI=1S/C63H51BN2O2Si/c1-38-36-51-55-52(37-38)66(50-33-17-27-44-42-25-15-29-46(63(5,6)7)59(42)68-61(44)50)48-31-19-35-54-57(48)64(55)56-47(30-18-34-53(56)69(54,39-20-10-8-11-21-39)40-22-12-9-13-23-40)65(51)49-32-16-26-43-41-24-14-28-45(62(2,3)4)58(41)67-60(43)49/h8-37H,1-7H3
InChIKey	RIIMGMFSVAGIDM-UHFFFAOYSA-N
XLogP	12.16
TPSA	32.76 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	69
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.01
LogP ≤ 5	12.16
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 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene?

The IUPAC name of 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene (CID 161283258) is 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene.

What is the SMILES notation for 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene?

The canonical SMILES for 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene is Cc1cc2c3c(c1)N(c1cccc4c1oc1c(C(C)(C)C)cccc14)c1cccc4c1B3c1c(cccc1[Si]4(c1ccccc1)c1ccccc1)N2c1cccc2c1oc1c(C(C)(C)C)cccc12.

What is the InChIKey of 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene?

The InChIKey is RIIMGMFSVAGIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51BN2O2Si/c1-38-36-51-55-52(37-38)66(50-33-17-27-44-42-25-15-29-46(63(5,6)7)59(42)68-61(44)50)48-31-19-35-54-57(48)64(55)56-47(30-18-34-53(56)69(54,39-20-10-8-11-21-39)40-22-12-9-13-23-40)65(51)49-32-16-26-43-41-24-14-28-45(62(2,3)4)58(41)67-60(43)49/h8-37H,1-7H3.

What are the key properties of 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene?

8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene has a molecular weight of 907.01 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(6-tert-butyldibenzofuran-4-yl)-11-methyl-22,22-diphenyl-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-nonaene is sourced from PubChem (CID 161283258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).