trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane

C44H34S3Si — CID 165089081

IUPACtrimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane
SMILESCc1ccc(-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc(-c7ccc([Si](C)(C)C)cc7)cc6)cc4cc35)cc2)cc1
InChIInChI=1S/C44H34S3Si/c1-27-5-7-28(8-6-27)29-9-13-32(14-10-29)39-23-34-21-37-38-22-35-24-40(46-42(35)26-44(38)47-43(37)25-41(34)45-39)33-15-11-30(12-16-33)31-17-19-36(20-18-31)48(2,3)4/h5-26H,1-4H3
InChIKeyFBRQVNSCNMFRMY-UHFFFAOYSA-N
MW687.04 g/mol
LogP14.01
Rot. Bonds5

About trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane

trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane (PubChem CID 165089081) has the molecular formula C44H34S3Si and a molecular weight of 687.04 g/mol. Its IUPAC name is trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane
PubChem CID165089081
Molecular FormulaC44H34S3Si
Molecular Weight687.04 g/mol
Exact Mass686.16
IUPAC Nametrimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane
SMILESCc1ccc(-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc(-c7ccc([Si](C)(C)C)cc7)cc6)cc4cc35)cc2)cc1
InChIInChI=1S/C44H34S3Si/c1-27-5-7-28(8-6-27)29-9-13-32(14-10-29)39-23-34-21-37-38-22-35-24-40(46-42(35)26-44(38)47-43(37)25-41(34)45-39)33-15-11-30(12-16-33)31-17-19-36(20-18-31)48(2,3)4/h5-26H,1-4H3
InChIKeyFBRQVNSCNMFRMY-UHFFFAOYSA-N
XLogP14.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.04
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane with MolForge

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Related Compounds

6-phenyl-16-[4-(4-phenylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 164729633
6,16-bis[4-(4-phenylphenyl)phenyl]-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 164729603
trimethyl-[4-[3-(4-methylphenyl)phenyl]phenyl]silane
CID 58390070
6-(4-methylphenyl)-5,11,16,22-tetrathiahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-1(12),2(10),3,6,8,13(21),14,17,19-nonaene
CID 146620994
2,7-bis[4-(4-methylphenyl)phenyl]-[1]benzothiolo[7,6-g][1]benzothiole
CID 156519942
[4-[4-(6-dibenzothiophen-2-ylnaphthalen-2-yl)phenyl]phenyl]-trimethylsilane
CID 171056497
5-(3,5-dimethylphenyl)-2-(4-methylphenyl)thieno[2,3-c]pyridine
CID 155626244
2-(4-methylphenyl)thieno[3,2-c]pyridine
CID 59130313
7-methyl-2-[4-[4-(7-methylthieno[3,2-e][1]benzothiol-2-yl)phenyl]phenyl]thieno[3,2-e][1]benzothiole
CID 143769806
(4-methylphenyl)-[4-[7-[4-[(4-methylphenyl)-diphenylsilyl]phenyl]dibenzothiophen-2-yl]phenyl]-diphenylsilane
CID 141320991
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane (CID 165089081) is trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane is Cc1ccc(-c2ccc(-c3cc4cc5c(cc4s3)sc3cc4sc(-c6ccc(-c7ccc([Si](C)(C)C)cc7)cc6)cc4cc35)cc2)cc1.
What is the InChIKey of trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?
The InChIKey is FBRQVNSCNMFRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34S3Si/c1-27-5-7-28(8-6-27)29-9-13-32(14-10-29)39-23-34-21-37-38-22-35-24-40(46-42(35)26-44(38)47-43(37)25-41(34)45-39)33-15-11-30(12-16-33)31-17-19-36(20-18-31)48(2,3)4/h5-26H,1-4H3.
What are the key properties of trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane?
trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane has a molecular weight of 687.04 g/mol, XLogP of 14.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[4-[16-[4-(4-methylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]phenyl]phenyl]silane is sourced from PubChem (CID 165089081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).