2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole

C30H22N2 — CID 141243954

IUPAC2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
SMILESc1ccc(C(=C(c2ccccc2)c2cc3ccccc3[nH]2)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C30H22N2/c1-3-11-21(12-4-1)29(27-19-23-15-7-9-17-25(23)31-27)30(22-13-5-2-6-14-22)28-20-24-16-8-10-18-26(24)32-28/h1-20,31-32H
InChIKeyNPCKPBAMMFJCNZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.66
Rot. Bonds4

About 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole

2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole (PubChem CID 141243954) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
PubChem CID141243954
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole
SMILESc1ccc(C(=C(c2ccccc2)c2cc3ccccc3[nH]2)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C30H22N2/c1-3-11-21(12-4-1)29(27-19-23-15-7-9-17-25(23)31-27)30(22-13-5-2-6-14-22)28-20-24-16-8-10-18-26(24)32-28/h1-20,31-32H
InChIKeyNPCKPBAMMFJCNZ-UHFFFAOYSA-N
XLogP7.66
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1H-indole-2-carboxylic acid
CID 91052830
CID 58100929
CID 58100929
(E)-4-(1H-indol-2-yl)-4-oxobut-2-enoic acid
CID 12618365
1H-indole-2-carbothioic S-acid
CID 4713092
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
N'-amino-1H-indole-2-carboximidamide
CID 136649421
(2Z)-N-ethoxy-2-[1H-indol-2-yl(phenyl)methylidene]-4-phenylbut-3-ynamide
CID 177474276
3-(1H-indole-2-carbonyloxy)benzoic acid
CID 71564706
2-[1-(4-chlorophenyl)ethenyl]-1H-indole
CID 166072616
cyclohexa-3,5-diene-1,2-dione;1H-indole-2-carboxylic acid
CID 22129260
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
CID 139733709
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-2-yl)ethane-1,2-dione
CID 10269957

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole?
The IUPAC name of 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole (CID 141243954) is 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole.
What is the SMILES notation for 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole?
The canonical SMILES for 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole is c1ccc(C(=C(c2ccccc2)c2cc3ccccc3[nH]2)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole?
The InChIKey is NPCKPBAMMFJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-3-11-21(12-4-1)29(27-19-23-15-7-9-17-25(23)31-27)30(22-13-5-2-6-14-22)28-20-24-16-8-10-18-26(24)32-28/h1-20,31-32H.
What are the key properties of 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole?
2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole has a molecular weight of 410.52 g/mol, XLogP of 7.66, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-2-yl)-1,2-diphenylethenyl]-1H-indole is sourced from PubChem (CID 141243954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).