[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane

C34H45NS2Sn2 — CID 145188905

IUPAC[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane
SMILESCCCCC(CC)Cn1c2cc(-c3ccc([Sn](C)(C)C)s3)ccc2c2ccc(-c3ccc([Sn](C)(C)C)s3)cc21
InChIInChI=1S/C28H27NS2.6CH3.2Sn/c1-3-5-8-20(4-2)19-29-25-17-21(27-9-6-15-30-27)11-13-23(25)24-14-12-22(18-26(24)29)28-10-7-16-31-28;;;;;;;;/h6-7,9-14,17-18,20H,3-5,8,19H2,1-2H3;6*1H3;;
InChIKeyBZNVTCQPCFLNNF-UHFFFAOYSA-N
MW769.30 g/mol
LogP10.56
Rot. Bonds10

About [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane

[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane (PubChem CID 145188905) has the molecular formula C34H45NS2Sn2 and a molecular weight of 769.30 g/mol. Its IUPAC name is [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane.

Molecular Properties

Compound Name[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane
PubChem CID145188905
Molecular FormulaC34H45NS2Sn2
Molecular Weight769.30 g/mol
Exact Mass771.10
IUPAC Name[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane
SMILESCCCCC(CC)Cn1c2cc(-c3ccc([Sn](C)(C)C)s3)ccc2c2ccc(-c3ccc([Sn](C)(C)C)s3)cc21
InChIInChI=1S/C28H27NS2.6CH3.2Sn/c1-3-5-8-20(4-2)19-29-25-17-21(27-9-6-15-30-27)11-13-23(25)24-14-12-22(18-26(24)29)28-10-7-16-31-28;;;;;;;;/h6-7,9-14,17-18,20H,3-5,8,19H2,1-2H3;6*1H3;;
InChIKeyBZNVTCQPCFLNNF-UHFFFAOYSA-N
XLogP10.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.30
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane?
The IUPAC name of [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane (CID 145188905) is [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane.
What is the SMILES notation for [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane?
The canonical SMILES for [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane is CCCCC(CC)Cn1c2cc(-c3ccc([Sn](C)(C)C)s3)ccc2c2ccc(-c3ccc([Sn](C)(C)C)s3)cc21.
What is the InChIKey of [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane?
The InChIKey is BZNVTCQPCFLNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NS2.6CH3.2Sn/c1-3-5-8-20(4-2)19-29-25-17-21(27-9-6-15-30-27)11-13-23(25)24-14-12-22(18-26(24)29)28-10-7-16-31-28;;;;;;;;/h6-7,9-14,17-18,20H,3-5,8,19H2,1-2H3;6*1H3;;.
What are the key properties of [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane?
[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane has a molecular weight of 769.30 g/mol, XLogP of 10.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane is sourced from PubChem (CID 145188905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).