ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole

C21H23N — CID 176690298

IUPACethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccccc1.CC
InChIInChI=1S/C19H17N.C2H6/c1-3-10-16-17-13-8-9-14-19(17)20(18(16)4-2)15-11-6-5-7-12-15;1-2/h3-14H,2H2,1H3;1-2H3/b10-3-;
InChIKeyAXLTUDOUCHWIGT-HVHUWTQGSA-N
MW289.42 g/mol
LogP6.33
Rot. Bonds3

About ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole

ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole (PubChem CID 176690298) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole.

Molecular Properties

Compound Nameethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
PubChem CID176690298
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Nameethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccccc1.CC
InChIInChI=1S/C19H17N.C2H6/c1-3-10-16-17-13-8-9-14-19(17)20(18(16)4-2)15-11-6-5-7-12-15;1-2/h3-14H,2H2,1H3;1-2H3/b10-3-;
InChIKeyAXLTUDOUCHWIGT-HVHUWTQGSA-N
XLogP6.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
9-(3,5-dibromophenyl)-3-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]carbazole
CID 145163222
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
N-[4-[4-(N-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 130309344
2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]-9H-pyrrolo[2,3-b]carbazole
CID 145328023
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-9-phenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-b]carbazole
CID 138534156
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 144604962
21-ethenyl-4,22-diphenyl-20-[(Z)-prop-1-enyl]-4,15,22-triazaoctacyclo[13.13.1.02,14.03,11.05,10.016,24.019,23.025,29]nonacosa-1(29),2(14),3(11),5,7,9,12,16(24),17,19(23),20,25,27-tridecaene
CID 166881227

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole?
The IUPAC name of ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole (CID 176690298) is ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole.
What is the SMILES notation for ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole?
The canonical SMILES for ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole is C=Cc1c(/C=C\C)c2ccccc2n1-c1ccccc1.CC.
What is the InChIKey of ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole?
The InChIKey is AXLTUDOUCHWIGT-HVHUWTQGSA-N. The full InChI is InChI=1S/C19H17N.C2H6/c1-3-10-16-17-13-8-9-14-19(17)20(18(16)4-2)15-11-6-5-7-12-15;1-2/h3-14H,2H2,1H3;1-2H3/b10-3-;.
What are the key properties of ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole?
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole has a molecular weight of 289.42 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole is sourced from PubChem (CID 176690298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).