(3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane

C73H73N9Si — CID 88543382

IUPAC(3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane
SMILESCCC(C)(C)c1cnc2c(c1)c1cccnc1n2-c1ccc([Si](c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)(c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C73H73N9Si/c1-13-71(7,8)48-41-61-58-22-17-37-74-64(58)80(67(61)77-44-48)51-25-31-54(32-26-51)83(57-21-16-20-47(40-57)70(4,5)6,55-33-27-52(28-34-55)81-65-59(23-18-38-75-65)62-42-49(45-78-68(62)81)72(9,10)14-2)56-35-29-53(30-36-56)82-66-60(24-19-39-76-66)63-43-50(46-79-69(63)82)73(11,12)15-3/h16-46H,13-15H2,1-12H3
InChIKeyVYJDXPNQJANZEL-UHFFFAOYSA-N
MW1104.54 g/mol
LogP15.09
Rot. Bonds13

About (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane

(3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane (PubChem CID 88543382) has the molecular formula C73H73N9Si and a molecular weight of 1104.54 g/mol. Its IUPAC name is (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane.

Molecular Properties

Compound Name(3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane
PubChem CID88543382
Molecular FormulaC73H73N9Si
Molecular Weight1104.54 g/mol
Exact Mass1103.58
IUPAC Name(3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane
SMILESCCC(C)(C)c1cnc2c(c1)c1cccnc1n2-c1ccc([Si](c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)(c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)c2cccc(C(C)(C)C)c2)cc1
InChIInChI=1S/C73H73N9Si/c1-13-71(7,8)48-41-61-58-22-17-37-74-64(58)80(67(61)77-44-48)51-25-31-54(32-26-51)83(57-21-16-20-47(40-57)70(4,5)6,55-33-27-52(28-34-55)81-65-59(23-18-38-75-65)62-42-49(45-78-68(62)81)72(9,10)14-2)56-35-29-53(30-36-56)82-66-60(24-19-39-76-66)63-43-50(46-79-69(63)82)73(11,12)15-3/h16-46H,13-15H2,1-12H3
InChIKeyVYJDXPNQJANZEL-UHFFFAOYSA-N
XLogP15.09
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001104.54
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane?
The IUPAC name of (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane (CID 88543382) is (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane.
What is the SMILES notation for (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane?
The canonical SMILES for (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane is CCC(C)(C)c1cnc2c(c1)c1cccnc1n2-c1ccc([Si](c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)(c2ccc(-n3c4ncccc4c4cc(C(C)(C)CC)cnc43)cc2)c2cccc(C(C)(C)C)c2)cc1.
What is the InChIKey of (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane?
The InChIKey is VYJDXPNQJANZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H73N9Si/c1-13-71(7,8)48-41-61-58-22-17-37-74-64(58)80(67(61)77-44-48)51-25-31-54(32-26-51)83(57-21-16-20-47(40-57)70(4,5)6,55-33-27-52(28-34-55)81-65-59(23-18-38-75-65)62-42-49(45-78-68(62)81)72(9,10)14-2)56-35-29-53(30-36-56)82-66-60(24-19-39-76-66)63-43-50(46-79-69(63)82)73(11,12)15-3/h16-46H,13-15H2,1-12H3.
What are the key properties of (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane?
(3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane has a molecular weight of 1104.54 g/mol, XLogP of 15.09, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)-tris[4-[4-(2-methylbutan-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]phenyl]silane is sourced from PubChem (CID 88543382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).