ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene

C27H34FN — CID 177063311

IUPACethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene
SMILESC=C(C)F.C=C/C=c1\c2c(CC)c(C=C)c(/C=C\C)c3cccc(c32)n1C.CC
InChIInChI=1S/C22H23N.C3H5F.C2H6/c1-6-11-17-15(8-3)16(9-4)21-19(12-7-2)23(5)20-14-10-13-18(17)22(20)21;1-3(2)4;1-2/h6-8,10-14H,2-3,9H2,1,4-5H3;1H2,2H3;1-2H3/b11-6-,19-12+;;
InChIKeyFLCFRILXLPRPLY-VCVOARRTSA-N
MW391.57 g/mol
LogP7.77
Rot. Bonds4

About ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene

ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene (PubChem CID 177063311) has the molecular formula C27H34FN and a molecular weight of 391.57 g/mol. Its IUPAC name is ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene.

Molecular Properties

Compound Nameethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene
PubChem CID177063311
Molecular FormulaC27H34FN
Molecular Weight391.57 g/mol
Exact Mass391.27
IUPAC Nameethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene
SMILESC=C(C)F.C=C/C=c1\c2c(CC)c(C=C)c(/C=C\C)c3cccc(c32)n1C.CC
InChIInChI=1S/C22H23N.C3H5F.C2H6/c1-6-11-17-15(8-3)16(9-4)21-19(12-7-2)23(5)20-14-10-13-18(17)22(20)21;1-3(2)4;1-2/h6-8,10-14H,2-3,9H2,1,4-5H3;1H2,2H3;1-2H3/b11-6-,19-12+;;
InChIKeyFLCFRILXLPRPLY-VCVOARRTSA-N
XLogP7.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.57
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-9-methylcarbazole
CID 134240129
cyclohexane;15-ethenyl-17-methyl-16-[(Z)-prop-1-enyl]-17-azahexacyclo[10.9.2.05,22.08,23.013,21.014,18]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(18),15,19-undecaene
CID 145347583
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine
CID 144868863
(7E,8Z)-7-ethylidene-11-methylidene-19-phenyl-9-[(Z)-prop-1-enyl]-8-prop-2-enylidene-6,19-diazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,9,12(17),13,15-heptaene
CID 170381836
1-bromo-2-ethenyl-3-[(Z)-prop-1-enyl]benzene;butane
CID 142595555
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
(2E)-1-ethyl-3-methylidene-2-prop-2-enylideneindole
CID 126631875
1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]imidazo[1,2-a]benzimidazole
CID 134457642

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene?
The IUPAC name of ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene (CID 177063311) is ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene.
What is the SMILES notation for ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene?
The canonical SMILES for ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene is C=C(C)F.C=C/C=c1\c2c(CC)c(C=C)c(/C=C\C)c3cccc(c32)n1C.CC.
What is the InChIKey of ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene?
The InChIKey is FLCFRILXLPRPLY-VCVOARRTSA-N. The full InChI is InChI=1S/C22H23N.C3H5F.C2H6/c1-6-11-17-15(8-3)16(9-4)21-19(12-7-2)23(5)20-14-10-13-18(17)22(20)21;1-3(2)4;1-2/h6-8,10-14H,2-3,9H2,1,4-5H3;1H2,2H3;1-2H3/b11-6-,19-12+;;.
What are the key properties of ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene?
ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene has a molecular weight of 391.57 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-4-ethenyl-3-ethyl-1-methyl-5-[(Z)-prop-1-enyl]-2-prop-2-enylidenebenzo[cd]indole;2-fluoroprop-1-ene is sourced from PubChem (CID 177063311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).