ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole

C22H27NS — CID 144512484

IUPACethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole
SMILESC=Cc1[nH]c2ccc3c(C=C)c(C=C)sc3c2c1C=C.CC.CC
InChIInChI=1S/C18H15NS.2C2H6/c1-5-11-13-9-10-15-17(18(13)20-16(11)8-4)12(6-2)14(7-3)19-15;2*1-2/h5-10,19H,1-4H2;2*1-2H3
InChIKeyZDPHNWCWNVUMDL-UHFFFAOYSA-N
MW337.53 g/mol
LogP8.01
Rot. Bonds4

About ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole

ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole (PubChem CID 144512484) has the molecular formula C22H27NS and a molecular weight of 337.53 g/mol. Its IUPAC name is ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole.

Molecular Properties

Compound Nameethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole
PubChem CID144512484
Molecular FormulaC22H27NS
Molecular Weight337.53 g/mol
Exact Mass337.19
IUPAC Nameethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole
SMILESC=Cc1[nH]c2ccc3c(C=C)c(C=C)sc3c2c1C=C.CC.CC
InChIInChI=1S/C18H15NS.2C2H6/c1-5-11-13-9-10-15-17(18(13)20-16(11)8-4)12(6-2)14(7-3)19-15;2*1-2/h5-10,19H,1-4H2;2*1-2H3
InChIKeyZDPHNWCWNVUMDL-UHFFFAOYSA-N
XLogP8.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.53
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-[(Z)-prop-1-enyl]-3H-[1]benzothiolo[2,3-e]indole
CID 167223352
8,9-bis(ethenyl)-4-methyl-7H-pyrano[2,3-e]indol-2-one
CID 143912464
4-[(1Z)-buta-1,3-dienyl]-2,3-bis(ethenyl)-5-methyl-1H-indole
CID 145345751
13,14-bis(ethenyl)-12,16-dithiatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),13-heptaene
CID 144577722
2-methyl-1-[(1Z)-penta-1,4-dienyl]-8,9-dihydro-3H-[1]benzothiolo[2,3-e]indole
CID 167223145
(Z)-[(19Z)-15,16-bis(ethenyl)-22,22-dimethyl-9,17-diazapentacyclo[11.9.0.02,10.03,8.014,18]docosa-1(13),2(10),3,5,7,11,14(18),15,19-nonaen-21-ylidene]methanol
CID 145243666
(21Z)-18-ethenyl-15-methylidene-17-[(Z)-prop-1-enyl]-9,19-diazapentacyclo[11.9.0.02,10.03,8.016,20]docosa-1(13),2(10),3,5,7,11,16(20),17,21-nonaene;methanol
CID 145243588
3-ethenyl-2-[(Z)-prop-1-enyl]-6H-furo[3,2-c]carbazole
CID 145021144
2-[(Z)-but-1-enyl]-3-ethenyl-1H-[1]benzothiolo[3,2-g]indole
CID 167223610
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
2-ethenyl-N,N-dinaphthalen-1-yl-3-[(Z)-prop-1-enyl]-1H-indol-5-amine
CID 143420435

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole?
The IUPAC name of ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole (CID 144512484) is ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole.
What is the SMILES notation for ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole?
The canonical SMILES for ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole is C=Cc1[nH]c2ccc3c(C=C)c(C=C)sc3c2c1C=C.CC.CC.
What is the InChIKey of ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole?
The InChIKey is ZDPHNWCWNVUMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS.2C2H6/c1-5-11-13-9-10-15-17(18(13)20-16(11)8-4)12(6-2)14(7-3)19-15;2*1-2/h5-10,19H,1-4H2;2*1-2H3.
What are the key properties of ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole?
ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole has a molecular weight of 337.53 g/mol, XLogP of 8.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,7,8-tetrakis(ethenyl)-6H-thieno[2,3-e]indole is sourced from PubChem (CID 144512484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).