9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole

C52H42N2Si2 — CID 59181815

IUPAC9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)[Si](C)(C)c3cc5c6c(cccc6c3-4)[Si](C)(C)c3cc(-c4ccc6c(c4)c4ccccc4n6C)ccc3-5)ccc21
InChIInChI=1S/C52H42N2Si2/c1-53-43-15-9-7-12-35(43)40-26-31(20-24-45(40)53)33-18-22-37-42-30-50-51(39-14-11-17-47(52(39)42)55(3,4)48(37)28-33)38-23-19-34(29-49(38)56(50,5)6)32-21-25-46-41(27-32)36-13-8-10-16-44(36)54(46)2/h7-30H,1-6H3
InChIKeyAKKJCMYTKZHTRN-UHFFFAOYSA-N
MW751.09 g/mol
LogP11.07
Rot. Bonds2

About 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole

9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole (PubChem CID 59181815) has the molecular formula C52H42N2Si2 and a molecular weight of 751.09 g/mol. Its IUPAC name is 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
PubChem CID59181815
Molecular FormulaC52H42N2Si2
Molecular Weight751.09 g/mol
Exact Mass750.29
IUPAC Name9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc4c(c3)[Si](C)(C)c3cc5c6c(cccc6c3-4)[Si](C)(C)c3cc(-c4ccc6c(c4)c4ccccc4n6C)ccc3-5)ccc21
InChIInChI=1S/C52H42N2Si2/c1-53-43-15-9-7-12-35(43)40-26-31(20-24-45(40)53)33-18-22-37-42-30-50-51(39-14-11-17-47(52(39)42)55(3,4)48(37)28-33)38-23-19-34(29-49(38)56(50,5)6)32-21-25-46-41(27-32)36-13-8-10-16-44(36)54(46)2/h7-30H,1-6H3
InChIKeyAKKJCMYTKZHTRN-UHFFFAOYSA-N
XLogP11.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.09
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole with MolForge

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Related Compounds

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CID 123454068
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CID 160639859

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
The IUPAC name of 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole (CID 59181815) is 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
The canonical SMILES for 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole is Cn1c2ccccc2c2cc(-c3ccc4c(c3)[Si](C)(C)c3cc5c6c(cccc6c3-4)[Si](C)(C)c3cc(-c4ccc6c(c4)c4ccccc4n6C)ccc3-5)ccc21.
What is the InChIKey of 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
The InChIKey is AKKJCMYTKZHTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2Si2/c1-53-43-15-9-7-12-35(43)40-26-31(20-24-45(40)53)33-18-22-37-42-30-50-51(39-14-11-17-47(52(39)42)55(3,4)48(37)28-33)38-23-19-34(29-49(38)56(50,5)6)32-21-25-46-41(27-32)36-13-8-10-16-44(36)54(46)2/h7-30H,1-6H3.
What are the key properties of 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole?
9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole has a molecular weight of 751.09 g/mol, XLogP of 11.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[8,8,21,21-tetramethyl-5-(9-methylcarbazol-3-yl)-8,21-disilahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaen-18-yl]carbazole is sourced from PubChem (CID 59181815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).