trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane

C56H45N3Si2 — CID 153449313

IUPACtrimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1c2ccccc2cc2c1c1cccc3c4c(-n5c6ccccc6c6cc([Si](C)(C)C)ccc65)c5ccccc5cc4n2c13
InChIInChI=1S/C56H45N3Si2/c1-60(2,3)36-26-28-48-44(32-36)40-20-11-13-24-46(40)57(48)55-38-18-9-7-16-34(38)30-50-52(55)42-22-15-23-43-53-51(59(50)54(42)43)31-35-17-8-10-19-39(35)56(53)58-47-25-14-12-21-41(47)45-33-37(61(4,5)6)27-29-49(45)58/h7-33H,1-6H3
InChIKeyGQDAEEVWICQOEA-UHFFFAOYSA-N
MW816.17 g/mol
LogP14.43
Rot. Bonds4

About trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane

trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane (PubChem CID 153449313) has the molecular formula C56H45N3Si2 and a molecular weight of 816.17 g/mol. Its IUPAC name is trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane
PubChem CID153449313
Molecular FormulaC56H45N3Si2
Molecular Weight816.17 g/mol
Exact Mass815.32
IUPAC Nametrimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane
SMILESC[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1c2ccccc2cc2c1c1cccc3c4c(-n5c6ccccc6c6cc([Si](C)(C)C)ccc65)c5ccccc5cc4n2c13
InChIInChI=1S/C56H45N3Si2/c1-60(2,3)36-26-28-48-44(32-36)40-20-11-13-24-46(40)57(48)55-38-18-9-7-16-34(38)30-50-52(55)42-22-15-23-43-53-51(59(50)54(42)43)31-35-17-8-10-19-39(35)56(53)58-47-25-14-12-21-41(47)45-33-37(61(4,5)6)27-29-49(45)58/h7-33H,1-6H3
InChIKeyGQDAEEVWICQOEA-UHFFFAOYSA-N
XLogP14.43
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.17
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane with MolForge

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Related Compounds

10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146376598
17,24-diazadecacyclo[22.10.1.16,10.02,23.03,20.05,18.011,16.025,30.031,35.017,36]hexatriaconta-1(34),2(23),3,5(18),6,8,10(36),11,13,15,19,21,25,27,29,31(35),32-heptadecaene
CID 176726685
1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
CID 59221914
16,38-diphenyl-5,16,27,38-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.09,17.010,15.028,40.031,39.032,37.041,45.023,46]hexatetraconta-1(45),2,4(24),6(18),7,9(17),10,12,14,19,21,23(46),25,28(40),29,31(39),32,34,36,41,43-henicosaene
CID 146512233
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123
(1-carbazol-9-ylisoquinolin-7-yl)-trimethylsilane
CID 153491076
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-trimethylsilylcarbazol-9-yl)phenyl]-triphenylsilane;[3-(3-carbazol-9-yl-6-triphenylsilylcarbazol-9-yl)phenyl]-triphenylsilane
CID 165013153
(30-carbazol-9-yl-8,26-diazanonacyclo[24.10.1.18,15.02,7.09,14.020,25.027,32.033,37.019,38]octatriaconta-1(37),2,4,6,9(14),10,12,15,17,19(38),20,22,24,27(32),28,30,33,35-octadecaen-12-yl)-triphenylsilane
CID 168811390
16-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-6-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(23),2,4,6,8,10,13(18),14,16,19,21-undecaene
CID 155312222
11-benzo[b]carbazol-5-yl-5-(3-dibenzofuran-1-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375025
11-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477122
13-pyren-2-yl-1,13-diazaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.023,30.024,29]triaconta-2,4,6(14),7,9,11,15,17,19,21,23(30),24,26,28-tetradecaene
CID 142323872

Frequently Asked Questions

What is the IUPAC name of trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane?
The IUPAC name of trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane (CID 153449313) is trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane.
What is the SMILES notation for trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane?
The canonical SMILES for trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane is C[Si](C)(C)c1ccc2c(c1)c1ccccc1n2-c1c2ccccc2cc2c1c1cccc3c4c(-n5c6ccccc6c6cc([Si](C)(C)C)ccc65)c5ccccc5cc4n2c13.
What is the InChIKey of trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane?
The InChIKey is GQDAEEVWICQOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N3Si2/c1-60(2,3)36-26-28-48-44(32-36)40-20-11-13-24-46(40)57(48)55-38-18-9-7-16-34(38)30-50-52(55)42-22-15-23-43-53-51(59(50)54(42)43)31-35-17-8-10-19-39(35)56(53)58-47-25-14-12-21-41(47)45-33-37(61(4,5)6)27-29-49(45)58/h7-33H,1-6H3.
What are the key properties of trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane?
trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane has a molecular weight of 816.17 g/mol, XLogP of 14.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane is sourced from PubChem (CID 153449313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).