1-(1,2,2-triphenylethenyl)-2,3-dihydroindole

C28H23N — CID 123446002

IUPAC1-(1,2,2-triphenylethenyl)-2,3-dihydroindole
SMILESc1ccc(C(=C(c2ccccc2)N2CCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C28H23N/c1-4-13-23(14-5-1)27(24-15-6-2-7-16-24)28(25-17-8-3-9-18-25)29-21-20-22-12-10-11-19-26(22)29/h1-19H,20-21H2
InChIKeyCIQRZGCFMCVMAB-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.67
Rot. Bonds4

About 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole

1-(1,2,2-triphenylethenyl)-2,3-dihydroindole (PubChem CID 123446002) has the molecular formula C28H23N and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1,2,2-triphenylethenyl)-2,3-dihydroindole
PubChem CID123446002
Molecular FormulaC28H23N
Molecular Weight373.50 g/mol
Exact Mass373.18
IUPAC Name1-(1,2,2-triphenylethenyl)-2,3-dihydroindole
SMILESc1ccc(C(=C(c2ccccc2)N2CCc3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C28H23N/c1-4-13-23(14-5-1)27(24-15-6-2-7-16-24)28(25-17-8-3-9-18-25)29-21-20-22-12-10-11-19-26(22)29/h1-19H,20-21H2
InChIKeyCIQRZGCFMCVMAB-UHFFFAOYSA-N
XLogP6.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
3-(2,3-dihydroindole-1-carbonyl)benzaldehyde
CID 90104032
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(E)-1-(2,3-dihydroindol-1-yl)-3-phenylprop-2-en-1-one
CID 708145
1-penta-1,2,4-trien-3-yl-2,3-dihydroindole
CID 145126142
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 76944392
N'-hydroxy-2,3-dihydroindole-1-carboximidamide
CID 126972145
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168
3-[3-[1-(2,3-dihydroindol-1-yl)-2,2-diphenylethenyl]phenyl]-7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine
CID 123999071

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole?
The IUPAC name of 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole (CID 123446002) is 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole.
What is the SMILES notation for 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole?
The canonical SMILES for 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole is c1ccc(C(=C(c2ccccc2)N2CCc3ccccc32)c2ccccc2)cc1.
What is the InChIKey of 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole?
The InChIKey is CIQRZGCFMCVMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N/c1-4-13-23(14-5-1)27(24-15-6-2-7-16-24)28(25-17-8-3-9-18-25)29-21-20-22-12-10-11-19-26(22)29/h1-19H,20-21H2.
What are the key properties of 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole?
1-(1,2,2-triphenylethenyl)-2,3-dihydroindole has a molecular weight of 373.50 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-triphenylethenyl)-2,3-dihydroindole is sourced from PubChem (CID 123446002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).