2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole

C25H22N2 — CID 177209641

IUPAC2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole
SMILESC=C/C=c1/[nH]c2ccc(-c3ccc4[nH]c(C=C)c(/C=C\C)c4c3)cc2c1=C
InChIInChI=1S/C25H22N2/c1-5-8-19-21-15-18(11-13-25(21)26-22(19)7-3)17-10-12-24-20(14-17)16(4)23(27-24)9-6-2/h5-15,26-27H,2-4H2,1H3/b8-5-,23-9+
InChIKeyNOOAKURUTCRNHB-BBIVQTOJSA-N
MW350.47 g/mol
LogP5.37
Rot. Bonds4

About 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole

2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole (PubChem CID 177209641) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole.

Molecular Properties

Compound Name2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole
PubChem CID177209641
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC Name2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole
SMILESC=C/C=c1/[nH]c2ccc(-c3ccc4[nH]c(C=C)c(/C=C\C)c4c3)cc2c1=C
InChIInChI=1S/C25H22N2/c1-5-8-19-21-15-18(11-13-25(21)26-22(19)7-3)17-10-12-24-20(14-17)16(4)23(27-24)9-6-2/h5-15,26-27H,2-4H2,1H3/b8-5-,23-9+
InChIKeyNOOAKURUTCRNHB-BBIVQTOJSA-N
XLogP5.37
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-N,N-dinaphthalen-1-yl-3-[(Z)-prop-1-enyl]-1H-indol-5-amine
CID 143420435
ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1,10-dihydropyrrolo[2,3-a]carbazole;methane
CID 145126089
2-ethylidene-3-methylidene-1H-indole
CID 131846475
(13Z)-10,13,14-tris(ethenyl)-11-[(Z)-prop-1-enyl]-9,22-diazapentacyclo[13.7.0.02,7.08,12.016,21]docosa-1(15),2,4,6,8(12),10,13,16,18,20-decaene
CID 145241491
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 130271448
5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
(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-4-[(Z)-prop-1-enyl]-1H-1-benzazepine-2,5-dione
CID 143318864
4-ethenyl-5-[(Z)-prop-1-enyl]-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
CID 142254198
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120171
ethane;3-ethenyl-2-[(Z)-prop-1-enyl]-1H-indole;3-propyl-9H-carbazole
CID 144821210

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole?
The IUPAC name of 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole (CID 177209641) is 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole.
What is the SMILES notation for 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole?
The canonical SMILES for 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole is C=C/C=c1/[nH]c2ccc(-c3ccc4[nH]c(C=C)c(/C=C\C)c4c3)cc2c1=C.
What is the InChIKey of 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole?
The InChIKey is NOOAKURUTCRNHB-BBIVQTOJSA-N. The full InChI is InChI=1S/C25H22N2/c1-5-8-19-21-15-18(11-13-25(21)26-22(19)7-3)17-10-12-24-20(14-17)16(4)23(27-24)9-6-2/h5-15,26-27H,2-4H2,1H3/b8-5-,23-9+.
What are the key properties of 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole?
2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole has a molecular weight of 350.47 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[(2E)-3-methylidene-2-prop-2-enylidene-1H-indol-5-yl]-3-[(Z)-prop-1-enyl]-1H-indole is sourced from PubChem (CID 177209641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).