2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid

C50H32N2O2S10 — CID 132821185

IUPAC2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid
SMILESCCn1c2ccccc2c2cc(Sc3ccc(-c4ccc(-c5ccc(-c6cccs6)s5)s4)s3)c(Sc3ccc(-c4ccc(-c5ccc(-c6ccc(CC(C#N)C(=O)O)s6)s5)s4)s3)cc21
InChIInChI=1S/C50H32N2O2S10/c1-2-52-32-7-4-3-6-30(32)31-25-46(63-48-21-19-44(61-48)42-17-15-39(59-42)38-12-11-35(57-38)34-8-5-23-55-34)47(26-33(31)52)64-49-22-20-45(62-49)43-18-16-41(60-43)40-14-13-37(58-40)36-10-9-29(56-36)24-28(27-51)50(53)54/h3-23,25-26,28H,2,24H2,1H3,(H,53,54)
InChIKeyZUPLDLUBAZCXNK-UHFFFAOYSA-N
MW1013.49 g/mol
LogP18.38
Rot. Bonds14

About 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid

2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid (PubChem CID 132821185) has the molecular formula C50H32N2O2S10 and a molecular weight of 1013.49 g/mol. Its IUPAC name is 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid
PubChem CID132821185
Molecular FormulaC50H32N2O2S10
Molecular Weight1013.49 g/mol
Exact Mass1011.97
IUPAC Name2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid
SMILESCCn1c2ccccc2c2cc(Sc3ccc(-c4ccc(-c5ccc(-c6cccs6)s5)s4)s3)c(Sc3ccc(-c4ccc(-c5ccc(-c6ccc(CC(C#N)C(=O)O)s6)s5)s4)s3)cc21
InChIInChI=1S/C50H32N2O2S10/c1-2-52-32-7-4-3-6-30(32)31-25-46(63-48-21-19-44(61-48)42-17-15-39(59-42)38-12-11-35(57-38)34-8-5-23-55-34)47(26-33(31)52)64-49-22-20-45(62-49)43-18-16-41(60-43)40-14-13-37(58-40)36-10-9-29(56-36)24-28(27-51)50(53)54/h3-23,25-26,28H,2,24H2,1H3,(H,53,54)
InChIKeyZUPLDLUBAZCXNK-UHFFFAOYSA-N
XLogP18.38
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.49
LogP ≤ 518.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid with MolForge

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Related Compounds

9-ethyl-3-(5-thiophen-2-ylthiophen-2-yl)carbazole
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2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
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2-(9-ethylcarbazol-3-yl)-2-hydroxyacetic acid
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(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid
CID 175282763
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine
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1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]propan-2-amine
CID 170890943
4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
CID 70912798
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
9-ethylcarbazole-3-carboxylic acid
CID 4912869
2-thiophen-2-yl-5-[5-(2,4,6-trimethylphenyl)sulfanylthiophen-2-yl]thiophene
CID 102388798
1-benzyl-3-[(1-ethyl-2-thiophen-2-ylindol-3-yl)methyl]urea
CID 45106634
1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde
CID 50742346

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid?
The IUPAC name of 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid (CID 132821185) is 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid.
What is the SMILES notation for 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid?
The canonical SMILES for 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid is CCn1c2ccccc2c2cc(Sc3ccc(-c4ccc(-c5ccc(-c6cccs6)s5)s4)s3)c(Sc3ccc(-c4ccc(-c5ccc(-c6ccc(CC(C#N)C(=O)O)s6)s5)s4)s3)cc21.
What is the InChIKey of 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid?
The InChIKey is ZUPLDLUBAZCXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2S10/c1-2-52-32-7-4-3-6-30(32)31-25-46(63-48-21-19-44(61-48)42-17-15-39(59-42)38-12-11-35(57-38)34-8-5-23-55-34)47(26-33(31)52)64-49-22-20-45(62-49)43-18-16-41(60-43)40-14-13-37(58-40)36-10-9-29(56-36)24-28(27-51)50(53)54/h3-23,25-26,28H,2,24H2,1H3,(H,53,54).
What are the key properties of 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid?
2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid has a molecular weight of 1013.49 g/mol, XLogP of 18.38, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[5-[5-[5-[5-[9-ethyl-3-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]sulfanylcarbazol-2-yl]sulfanylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propanoic acid is sourced from PubChem (CID 132821185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).