24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]

C58H37N3Si — CID 162503276

IUPAC24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3[Si]3(c4ccccc4-c4ccccc4-c4ccccc43)c3ccccc3-5)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N3Si/c1-3-19-38(20-4-1)50-37-57(60-58(59-50)39-21-5-2-6-22-39)61-51-30-14-9-25-42(51)49-35-47-45-28-12-17-33-55(45)62(56-34-18-13-29-46(56)48(47)36-52(49)61)53-31-15-10-26-43(53)40-23-7-8-24-41(40)44-27-11-16-32-54(44)62/h1-37H
InChIKeyFMFGBIWVGOWDFL-UHFFFAOYSA-N
MW804.04 g/mol
LogP11.58
Rot. Bonds3

About 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]

24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene] (PubChem CID 162503276) has the molecular formula C58H37N3Si and a molecular weight of 804.04 g/mol. Its IUPAC name is 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene].

Molecular Properties

Compound Name24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]
PubChem CID162503276
Molecular FormulaC58H37N3Si
Molecular Weight804.04 g/mol
Exact Mass803.28
IUPAC Name24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3[Si]3(c4ccccc4-c4ccccc4-c4ccccc43)c3ccccc3-5)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H37N3Si/c1-3-19-38(20-4-1)50-37-57(60-58(59-50)39-21-5-2-6-22-39)61-51-30-14-9-25-42(51)49-35-47-45-28-12-17-33-55(45)62(56-34-18-13-29-46(56)48(47)36-52(49)61)53-31-15-10-26-43(53)40-23-7-8-24-41(40)44-27-11-16-32-54(44)62/h1-37H
InChIKeyFMFGBIWVGOWDFL-UHFFFAOYSA-N
XLogP11.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.04
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene] with MolForge

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Related Compounds

3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
16-(2,6-diphenylpyrimidin-4-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465610
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
9-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-6-phenylpyrimidin-4-yl]carbazole
CID 145299212
16-(2,6-diphenylpyrimidin-4-yl)-10-thia-16-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,11,13,15(23),17,19,21-undecaene
CID 122466029
26-(2,6-diphenylpyrimidin-4-yl)-10,26-diazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.020,25]octacosa-1(28),2,4,6,8,11,13,15,17,19(27),20,22,24-tridecaene
CID 90433076
2-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511179
5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310206
[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]boronic acid
CID 140873197

Frequently Asked Questions

What is the IUPAC name of 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]?
The IUPAC name of 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene] (CID 162503276) is 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene].
What is the SMILES notation for 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]?
The canonical SMILES for 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene] is c1ccc(-c2cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3[Si]3(c4ccccc4-c4ccccc4-c4ccccc43)c3ccccc3-5)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]?
The InChIKey is FMFGBIWVGOWDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3Si/c1-3-19-38(20-4-1)50-37-57(60-58(59-50)39-21-5-2-6-22-39)61-51-30-14-9-25-42(51)49-35-47-45-28-12-17-33-55(45)62(56-34-18-13-29-46(56)48(47)36-52(49)61)53-31-15-10-26-43(53)40-23-7-8-24-41(40)44-27-11-16-32-54(44)62/h1-37H.
What are the key properties of 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene]?
24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene] has a molecular weight of 804.04 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 24'-(2,6-diphenylpyrimidin-4-yl)spiro[14-silatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,8'-24-aza-8-silahexacyclo[13.11.0.02,7.09,14.017,25.018,23]hexacosa-1(15),2,4,6,9,11,13,16,18,20,22,25-dodecaene] is sourced from PubChem (CID 162503276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).