2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C185H138N16OSi3 — CID 158685776

IUPAC2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2ccc(-c3ccc(-c4cccc5c4-n4c6ccccc6c6cccc(c64)C5(C)C)nn3)cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2ccc(-c3cccc(-c4ccc5c6cccc7c6n(c5c4)-c4ccccc4C7(C)C)n3)cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)[Si]5(C)C)n3)cc2-n2c3ccccc3c3cccc1c32.C[Si]1(C)c2ccc(-c3nnc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)[Si]5(C)C)o3)cc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C50H37N5Si.C47H35N3.C46H34N4.C42H32N4OSi2/c1-50(2)37-26-24-31(28-41(37)54-39-21-10-8-16-33(39)35-18-12-20-38(50)45(35)54)48-51-47(30-14-6-5-7-15-30)52-49(53-48)32-25-27-43-42(29-32)55-40-22-11-9-17-34(40)36-19-13-23-44(46(36)55)56(43,3)4;1-46(2)34-15-6-8-21-41(34)50-42-26-28(22-24-31(42)33-14-10-17-37(46)45(33)50)38-18-11-19-39(48-38)29-23-25-35-43(27-29)49-40-20-7-5-12-30(40)32-13-9-16-36(44(32)49)47(35,3)4;1-45(2)33-23-22-27(26-41(33)49-39-20-7-5-12-28(39)30-14-9-17-34(45)42(30)49)37-24-25-38(48-47-37)32-16-11-19-36-44(32)50-40-21-8-6-13-29(40)31-15-10-18-35(43(31)50)46(36,3)4;1-48(2)35-21-19-25(23-33(35)45-31-15-7-5-11-27(31)29-13-9-17-37(48)39(29)45)41-43-44-42(47-41)26-20-22-36-34(24-26)46-32-16-8-6-12-28(32)30-14-10-18-38(40(30)46)49(36,3)4/h5-29H,1-4H3;5-27H,1-4H3;5-26H,1-4H3;5-24H,1-4H3
InChIKeyIFSHGWLDYHQTNT-UHFFFAOYSA-N
MW2685.51 g/mol
LogP41.88
Rot. Bonds9

About 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 158685776) has the molecular formula C185H138N16OSi3 and a molecular weight of 2685.51 g/mol. Its IUPAC name is 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
PubChem CID158685776
Molecular FormulaC185H138N16OSi3
Molecular Weight2685.51 g/mol
Exact Mass2683.05
IUPAC Name2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2ccc(-c3ccc(-c4cccc5c4-n4c6ccccc6c6cccc(c64)C5(C)C)nn3)cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2ccc(-c3cccc(-c4ccc5c6cccc7c6n(c5c4)-c4ccccc4C7(C)C)n3)cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)[Si]5(C)C)n3)cc2-n2c3ccccc3c3cccc1c32.C[Si]1(C)c2ccc(-c3nnc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)[Si]5(C)C)o3)cc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C50H37N5Si.C47H35N3.C46H34N4.C42H32N4OSi2/c1-50(2)37-26-24-31(28-41(37)54-39-21-10-8-16-33(39)35-18-12-20-38(50)45(35)54)48-51-47(30-14-6-5-7-15-30)52-49(53-48)32-25-27-43-42(29-32)55-40-22-11-9-17-34(40)36-19-13-23-44(46(36)55)56(43,3)4;1-46(2)34-15-6-8-21-41(34)50-42-26-28(22-24-31(42)33-14-10-17-37(46)45(33)50)38-18-11-19-39(48-38)29-23-25-35-43(27-29)49-40-20-7-5-12-30(40)32-13-9-16-36(44(32)49)47(35,3)4;1-45(2)33-23-22-27(26-41(33)49-39-20-7-5-12-28(39)30-14-9-17-34(45)42(30)49)37-24-25-38(48-47-37)32-16-11-19-36-44(32)50-40-21-8-6-13-29(40)31-15-10-18-35(43(31)50)46(36,3)4;1-48(2)35-21-19-25(23-33(35)45-31-15-7-5-11-27(31)29-13-9-17-37(48)39(29)45)41-43-44-42(47-41)26-20-22-36-34(24-26)46-32-16-8-6-12-28(32)30-14-10-18-38(40(30)46)49(36,3)4/h5-29H,1-4H3;5-27H,1-4H3;5-26H,1-4H3;5-24H,1-4H3
InChIKeyIFSHGWLDYHQTNT-UHFFFAOYSA-N
XLogP41.88
TPSA155.70 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002685.51
LogP ≤ 541.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 158685776) is 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is CC1(C)c2ccc(-c3ccc(-c4cccc5c4-n4c6ccccc6c6cccc(c64)C5(C)C)nn3)cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2ccc(-c3cccc(-c4ccc5c6cccc7c6n(c5c4)-c4ccccc4C7(C)C)n3)cc2-n2c3ccccc3c3cccc1c32.CC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)[Si]5(C)C)n3)cc2-n2c3ccccc3c3cccc1c32.C[Si]1(C)c2ccc(-c3nnc(-c4ccc5c(c4)-n4c6ccccc6c6cccc(c64)[Si]5(C)C)o3)cc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The InChIKey is IFSHGWLDYHQTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N5Si.C47H35N3.C46H34N4.C42H32N4OSi2/c1-50(2)37-26-24-31(28-41(37)54-39-21-10-8-16-33(39)35-18-12-20-38(50)45(35)54)48-51-47(30-14-6-5-7-15-30)52-49(53-48)32-25-27-43-42(29-32)55-40-22-11-9-17-34(40)36-19-13-23-44(46(36)55)56(43,3)4;1-46(2)34-15-6-8-21-41(34)50-42-26-28(22-24-31(42)33-14-10-17-37(46)45(33)50)38-18-11-19-39(48-38)29-23-25-35-43(27-29)49-40-20-7-5-12-30(40)32-13-9-16-36(44(32)49)47(35,3)4;1-45(2)33-23-22-27(26-41(33)49-39-20-7-5-12-28(39)30-14-9-17-34(45)42(30)49)37-24-25-38(48-47-37)32-16-11-19-36-44(32)50-40-21-8-6-13-29(40)31-15-10-18-35(43(31)50)46(36,3)4;1-48(2)35-21-19-25(23-33(35)45-31-15-7-5-11-27(31)29-13-9-17-37(48)39(29)45)41-43-44-42(47-41)26-20-22-36-34(24-26)46-32-16-8-6-12-28(32)30-14-10-18-38(40(30)46)49(36,3)4/h5-29H,1-4H3;5-27H,1-4H3;5-26H,1-4H3;5-24H,1-4H3.
What are the key properties of 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 2685.51 g/mol, XLogP of 41.88, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-1,3,4-oxadiazole;17-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-6-phenyl-1,3,5-triazin-2-yl]-13,13-dimethyl-1-aza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;17-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-18-yl)pyridazin-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;4-[6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-2-pyridinyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 158685776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).