8,8,24-triphenyl-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

C42H29NSi — CID 177069958

IUPAC8,8,24-triphenyl-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(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C42H29NSi/c1-4-16-30(17-5-1)43-39-25-13-10-22-33(39)38-28-36-34-23-11-14-26-41(34)44(31-18-6-2-7-19-31,32-20-8-3-9-21-32)42-27-15-12-24-35(42)37(36)29-40(38)43/h1-29H
InChIKeyKKZGLNRMYSAAMQ-UHFFFAOYSA-N
MW575.79 g/mol
LogP7.81
Rot. Bonds3

About 8,8,24-triphenyl-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

8,8,24-triphenyl-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 177069958) has the molecular formula C42H29NSi and a molecular weight of 575.79 g/mol. Its IUPAC name is 8,8,24-triphenyl-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 Name8,8,24-triphenyl-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 CID177069958
Molecular FormulaC42H29NSi
Molecular Weight575.79 g/mol
Exact Mass575.21
IUPAC Name8,8,24-triphenyl-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(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1
InChIInChI=1S/C42H29NSi/c1-4-16-30(17-5-1)43-39-25-13-10-22-33(39)38-28-36-34-23-11-14-26-41(34)44(31-18-6-2-7-19-31,32-20-8-3-9-21-32)42-27-15-12-24-35(42)37(36)29-40(38)43/h1-29H
InChIKeyKKZGLNRMYSAAMQ-UHFFFAOYSA-N
XLogP7.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.79
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8,8,24-triphenyl-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-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)benzo[b][1]benzosilol-5-yl]-5,11-diphenylindolo[3,2-b]carbazole
CID 140937968
9-[4-(20-phenyl-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]carbazole
CID 164739104
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
5-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 140873038
9-[3-[20-(3-carbazol-9-ylphenyl)-20-silapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl]phenyl]carbazole
CID 164739101
9-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140873053
2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
CID 90337243
N-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-5,5-diphenyl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 144766102
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)-[1]benzosilolo[2,3-b]carbazole
CID 123876607
9-(5,5-diphenylbenzo[b][1]benzosilol-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140873018
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843
2,9,9-triphenyl-4-(5-phenylindolo[3,2-b]carbazol-11-yl)-[1]benzosilolo[2,3-d]pyrimidine
CID 140804986

Frequently Asked Questions

What is the IUPAC name of 8,8,24-triphenyl-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 8,8,24-triphenyl-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 177069958) is 8,8,24-triphenyl-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 8,8,24-triphenyl-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 8,8,24-triphenyl-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(-n2c3ccccc3c3cc4c(cc32)-c2ccccc2[Si](c2ccccc2)(c2ccccc2)c2ccccc2-4)cc1.
What is the InChIKey of 8,8,24-triphenyl-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 KKZGLNRMYSAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NSi/c1-4-16-30(17-5-1)43-39-25-13-10-22-33(39)38-28-36-34-23-11-14-26-41(34)44(31-18-6-2-7-19-31,32-20-8-3-9-21-32)42-27-15-12-24-35(42)37(36)29-40(38)43/h1-29H.
What are the key properties of 8,8,24-triphenyl-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?
8,8,24-triphenyl-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 575.79 g/mol, XLogP of 7.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,24-triphenyl-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 177069958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).