tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane

C52H81NS2Sn2 — CID 155671046

IUPACtributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane
SMILESCCCCCCCCn1c2cc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)ccc2c2ccc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)cc21
InChIInChI=1S/C28H27NS2.6C4H9.2Sn/c1-2-3-4-5-6-7-16-29-25-19-21(27-10-8-17-30-27)12-14-23(25)24-15-13-22(20-26(24)29)28-11-9-18-31-28;6*1-3-4-2;;/h8-15,19-20H,2-7,16H2,1H3;6*1,3-4H2,2H3;;
InChIKeyBRHQEZDZKQIQKT-UHFFFAOYSA-N
MW1021.78 g/mol
LogP17.72
Rot. Bonds29

About tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane

tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane (PubChem CID 155671046) has the molecular formula C52H81NS2Sn2 and a molecular weight of 1021.78 g/mol. Its IUPAC name is tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane
PubChem CID155671046
Molecular FormulaC52H81NS2Sn2
Molecular Weight1021.78 g/mol
Exact Mass1023.39
IUPAC Nametributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane
SMILESCCCCCCCCn1c2cc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)ccc2c2ccc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)cc21
InChIInChI=1S/C28H27NS2.6C4H9.2Sn/c1-2-3-4-5-6-7-16-29-25-19-21(27-10-8-17-30-27)12-14-23(25)24-15-13-22(20-26(24)29)28-11-9-18-31-28;6*1-3-4-2;;/h8-15,19-20H,2-7,16H2,1H3;6*1,3-4H2,2H3;;
InChIKeyBRHQEZDZKQIQKT-UHFFFAOYSA-N
XLogP17.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.78
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane with MolForge

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Related Compounds

2,7-bis[5-(4-octoxyphenyl)thiophen-2-yl]-9-octylcarbazole
CID 102055404
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
CID 134391330
5-[6-(5-formylthiophen-2-yl)-9-octylcarbazol-3-yl]thiophene-2-carbaldehyde
CID 141456371
[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane
CID 145188905
2,7-dibromo-9-tetracontylcarbazole
CID 141357666
9-hexyl-2,7-bis[(E)-2-(4-phenylphenyl)ethenyl]carbazole
CID 58937437
15-octyl-6,18-bis(4-phenylphenyl)-3-thia-15-azahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 135242771
4,7-bis[5-(9-octylcarbazol-3-yl)thiophen-2-yl]-4,7-dihydro-2,1,3-benzothiadiazole
CID 134391337
5-[9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]thiophene-2-carbaldehyde
CID 102491581
9-butyl-2,7-dimethylcarbazole
CID 129212268
tributyl-[5-[tris(5-tributylstannylthiophen-2-yl)methyl]thiophen-2-yl]stannane
CID 139255137
tributyl-(5-dodecylthiophen-2-yl)stannane
CID 68652035

Frequently Asked Questions

What is the IUPAC name of tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane?
The IUPAC name of tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane (CID 155671046) is tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane.
What is the SMILES notation for tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane?
The canonical SMILES for tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane is CCCCCCCCn1c2cc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)ccc2c2ccc(-c3ccc([Sn](CCCC)(CCCC)CCCC)s3)cc21.
What is the InChIKey of tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane?
The InChIKey is BRHQEZDZKQIQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NS2.6C4H9.2Sn/c1-2-3-4-5-6-7-16-29-25-19-21(27-10-8-17-30-27)12-14-23(25)24-15-13-22(20-26(24)29)28-11-9-18-31-28;6*1-3-4-2;;/h8-15,19-20H,2-7,16H2,1H3;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane?
tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane has a molecular weight of 1021.78 g/mol, XLogP of 17.72, 29 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-[9-octyl-7-(5-tributylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]stannane is sourced from PubChem (CID 155671046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).