3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole

C36H32N2 — CID 132537089

IUPAC3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole
SMILESC(=C/c1cn(CCCCn2cc(/C=C/c3ccccc3)c3ccccc32)c2ccccc12)\c1ccccc1
InChIInChI=1S/C36H32N2/c1-3-13-29(14-4-1)21-23-31-27-37(35-19-9-7-17-33(31)35)25-11-12-26-38-28-32(34-18-8-10-20-36(34)38)24-22-30-15-5-2-6-16-30/h1-10,13-24,27-28H,11-12,25-26H2/b23-21+,24-22+
InChIKeyGVKXUIIIXSWYAH-MBALSZOMSA-N
MW492.67 g/mol
LogP9.42
Rot. Bonds9

About 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole

3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole (PubChem CID 132537089) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole
PubChem CID132537089
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC Name3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole
SMILESC(=C/c1cn(CCCCn2cc(/C=C/c3ccccc3)c3ccccc32)c2ccccc12)\c1ccccc1
InChIInChI=1S/C36H32N2/c1-3-13-29(14-4-1)21-23-31-27-37(35-19-9-7-17-33(31)35)25-11-12-26-38-28-32(34-18-8-10-20-36(34)38)24-22-30-15-5-2-6-16-30/h1-10,13-24,27-28H,11-12,25-26H2/b23-21+,24-22+
InChIKeyGVKXUIIIXSWYAH-MBALSZOMSA-N
XLogP9.42
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]indole;carbanide;1-ethyl-3-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]indole;3-[(E)-2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-1-hexylindole
CID 158154761
3-ethenyl-1-hexylindole
CID 141093384
4-[3-(3-phenylprop-2-enoyl)indol-1-yl]butanoic acid
CID 54387012
4-[(1E,6E)-7-(1-benzylindol-3-yl)hepta-1,6-dienyl]phenol
CID 141206108
ethyl (E)-3-[1-(4-oxobutyl)indol-3-yl]prop-2-enoate
CID 135086101
1-[4-[(E)-2-(1-methylindol-3-yl)ethenyl]phenyl]propan-2-one
CID 89385692
4-(1-benzylindol-3-yl)but-3-en-2-one
CID 2775547
1-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
CID 918978
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
(E)-3-[1-[(4-phenylphenyl)methyl]indol-3-yl]prop-2-enoic acid
CID 18799537
1-(2-phenylsulfanylethyl)indole-3-carbaldehyde
CID 79227626
2-[[1-(2-cyanoethyl)indol-3-yl]methylidene]propanedinitrile
CID 30234194

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole (CID 132537089) is 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole is C(=C/c1cn(CCCCn2cc(/C=C/c3ccccc3)c3ccccc32)c2ccccc12)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole?
The InChIKey is GVKXUIIIXSWYAH-MBALSZOMSA-N. The full InChI is InChI=1S/C36H32N2/c1-3-13-29(14-4-1)21-23-31-27-37(35-19-9-7-17-33(31)35)25-11-12-26-38-28-32(34-18-8-10-20-36(34)38)24-22-30-15-5-2-6-16-30/h1-10,13-24,27-28H,11-12,25-26H2/b23-21+,24-22+.
What are the key properties of 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole?
3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole has a molecular weight of 492.67 g/mol, XLogP of 9.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-1-[4-[3-[(E)-2-phenylethenyl]indol-1-yl]butyl]indole is sourced from PubChem (CID 132537089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).