3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole

C28H24N2 — CID 101107224

IUPAC3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole
SMILESCCC=C=Cc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H24N2/c1-2-3-4-9-20-14-16-21(17-15-20)28(24-18-29-26-12-7-5-10-22(24)26)25-19-30-27-13-8-6-11-23(25)27/h3,5-19,28-30H,2H2,1H3
InChIKeyQMNCATBSVBOGGV-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.41
Rot. Bonds5

About 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole

3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole (PubChem CID 101107224) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole
PubChem CID101107224
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole
SMILESCCC=C=Cc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C28H24N2/c1-2-3-4-9-20-14-16-21(17-15-20)28(24-18-29-26-12-7-5-10-22(24)26)25-19-30-27-13-8-6-11-23(25)27/h3,5-19,28-30H,2H2,1H3
InChIKeyQMNCATBSVBOGGV-UHFFFAOYSA-N
XLogP7.41
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
4-[1H-indol-3-yl(naphthalen-1-yl)methyl]-N-methylaniline
CID 134960683
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde
CID 159608053
3-propan-2-yl-1H-indole
CID 12534824
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
2-[4-[bis(1H-indol-3-yl)methyl]-2-ethoxyphenoxy]acetic acid
CID 2907269
3-[1H-indol-3-yl-(4-methoxynaphthalen-1-yl)methyl]-1H-indole
CID 4200527
1-butyl-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]indole
CID 139526216
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methyl-1H-indole;hydrochloride
CID 175089456

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole (CID 101107224) is 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole is CCC=C=Cc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole?
The InChIKey is QMNCATBSVBOGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-2-3-4-9-20-14-16-21(17-15-20)28(24-18-29-26-12-7-5-10-22(24)26)25-19-30-27-13-8-6-11-23(25)27/h3,5-19,28-30H,2H2,1H3.
What are the key properties of 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole?
3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole has a molecular weight of 388.51 g/mol, XLogP of 7.41, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole is sourced from PubChem (CID 101107224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).