3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane

C162H150F6N12Si8 — CID 159844392

IUPAC3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane
SMILESC[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)cc(C(F)(F)F)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4cc(C(F)(F)F)cn4)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1
InChIInChI=1S/C48H43N3Si2.C40H37F3N4Si2.C37H35F3N2Si2.C37H35N3Si2/c1-52(2,3)35-23-25-41-39-17-9-13-21-45(39)50(47(41)30-35)33-27-32(49-43-19-11-7-15-37(43)38-16-8-12-20-44(38)49)28-34(29-33)51-46-22-14-10-18-40(46)42-26-24-36(31-48(42)51)53(4,5)6;1-48(2,3)30-15-17-34-32-11-7-9-13-36(32)46(38(34)22-30)28-19-27(45-25-26(24-44-45)40(41,42)43)20-29(21-28)47-37-14-10-8-12-33(37)35-18-16-31(23-39(35)47)49(4,5)6;1-43(2,3)27-15-17-31-29-11-7-9-13-33(29)41(35(31)22-27)25-19-24(37(38,39)40)20-26(21-25)42-34-14-10-8-12-30(34)32-18-16-28(23-36(32)42)44(4,5)6;1-41(2,3)28-15-17-32-30-11-7-9-13-34(30)39(36(32)22-28)26-19-25(24-38)20-27(21-26)40-35-14-10-8-12-31(35)33-18-16-29(23-37(33)40)42(4,5)6/h7-31H,1-6H3;7-25H,1-6H3;7-23H,1-6H3;7-23H,1-6H3
InChIKeyNPCMLIBZKCSZLH-UHFFFAOYSA-N
MW2603.74 g/mol
LogP41.08
Rot. Bonds18

About 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane

3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane (PubChem CID 159844392) has the molecular formula C162H150F6N12Si8 and a molecular weight of 2603.74 g/mol. Its IUPAC name is 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane.

Molecular Properties

Compound Name3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane
PubChem CID159844392
Molecular FormulaC162H150F6N12Si8
Molecular Weight2603.74 g/mol
Exact Mass2601.02
IUPAC Name3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane
SMILESC[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)cc(C(F)(F)F)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4cc(C(F)(F)F)cn4)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1
InChIInChI=1S/C48H43N3Si2.C40H37F3N4Si2.C37H35F3N2Si2.C37H35N3Si2/c1-52(2,3)35-23-25-41-39-17-9-13-21-45(39)50(47(41)30-35)33-27-32(49-43-19-11-7-15-37(43)38-16-8-12-20-44(38)49)28-34(29-33)51-46-22-14-10-18-40(46)42-26-24-36(31-48(42)51)53(4,5)6;1-48(2,3)30-15-17-34-32-11-7-9-13-36(32)46(38(34)22-30)28-19-27(45-25-26(24-44-45)40(41,42)43)20-29(21-28)47-37-14-10-8-12-33(37)35-18-16-31(23-39(35)47)49(4,5)6;1-43(2,3)27-15-17-31-29-11-7-9-13-33(29)41(35(31)22-27)25-19-24(37(38,39)40)20-26(21-25)42-34-14-10-8-12-30(34)32-18-16-28(23-36(32)42)44(4,5)6;1-41(2,3)28-15-17-32-30-11-7-9-13-34(30)39(36(32)22-28)26-19-25(24-38)20-27(21-26)40-35-14-10-8-12-31(35)33-18-16-29(23-37(33)40)42(4,5)6/h7-31H,1-6H3;7-25H,1-6H3;7-23H,1-6H3;7-23H,1-6H3
InChIKeyNPCMLIBZKCSZLH-UHFFFAOYSA-N
XLogP41.08
TPSA85.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002603.74
LogP ≤ 541.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane?
The IUPAC name of 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane (CID 159844392) is 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane.
What is the SMILES notation for 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane?
The canonical SMILES for 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane is C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)cc(C(F)(F)F)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(-n4cc(C(F)(F)F)cn4)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1.C[Si](C)(C)c1ccc2c3ccccc3n(-c3cc(C#N)cc(-n4c5ccccc5c5ccc([Si](C)(C)C)cc54)c3)c2c1.
What is the InChIKey of 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane?
The InChIKey is NPCMLIBZKCSZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N3Si2.C40H37F3N4Si2.C37H35F3N2Si2.C37H35N3Si2/c1-52(2,3)35-23-25-41-39-17-9-13-21-45(39)50(47(41)30-35)33-27-32(49-43-19-11-7-15-37(43)38-16-8-12-20-44(38)49)28-34(29-33)51-46-22-14-10-18-40(46)42-26-24-36(31-48(42)51)53(4,5)6;1-48(2,3)30-15-17-34-32-11-7-9-13-36(32)46(38(34)22-30)28-19-27(45-25-26(24-44-45)40(41,42)43)20-29(21-28)47-37-14-10-8-12-33(37)35-18-16-31(23-39(35)47)49(4,5)6;1-43(2,3)27-15-17-31-29-11-7-9-13-33(29)41(35(31)22-27)25-19-24(37(38,39)40)20-26(21-25)42-34-14-10-8-12-30(34)32-18-16-28(23-36(32)42)44(4,5)6;1-41(2,3)28-15-17-32-30-11-7-9-13-34(30)39(36(32)22-28)26-19-25(24-38)20-27(21-26)40-35-14-10-8-12-31(35)33-18-16-29(23-37(33)40)42(4,5)6/h7-31H,1-6H3;7-25H,1-6H3;7-23H,1-6H3;7-23H,1-6H3.
What are the key properties of 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane?
3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane has a molecular weight of 2603.74 g/mol, XLogP of 41.08, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-trimethylsilylcarbazol-9-yl)benzonitrile;[9-[3-carbazol-9-yl-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]-trimethylsilane;trimethyl-[9-[3-[4-(trifluoromethyl)pyrazol-1-yl]-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane;trimethyl-[9-[3-(trifluoromethyl)-5-(2-trimethylsilylcarbazol-9-yl)phenyl]carbazol-2-yl]silane is sourced from PubChem (CID 159844392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).