3-phenyl-5,6-dihydro-4H-indole

C14H13N — CID 10081370

IUPAC3-phenyl-5,6-dihydro-4H-indole
SMILESC1=NC2=CCCCC2=C1c1ccccc1
InChIInChI=1S/C14H13N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-3,6-7,9-10H,4-5,8H2
InChIKeyKIUATBLRQMOZBS-UHFFFAOYSA-N
MW195.27 g/mol
LogP3.59
Rot. Bonds1

About 3-phenyl-5,6-dihydro-4H-indole

3-phenyl-5,6-dihydro-4H-indole (PubChem CID 10081370) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-phenyl-5,6-dihydro-4H-indole.

Molecular Properties

Compound Name3-phenyl-5,6-dihydro-4H-indole
PubChem CID10081370
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name3-phenyl-5,6-dihydro-4H-indole
SMILESC1=NC2=CCCCC2=C1c1ccccc1
InChIInChI=1S/C14H13N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-3,6-7,9-10H,4-5,8H2
InChIKeyKIUATBLRQMOZBS-UHFFFAOYSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-ethyl-5,6-dihydro-4H-indole
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3,4-diphenyl-2H-pyrrole
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(1Z)-1,2-diphenylcyclododecene
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1,2-diphenylcycloocta-1,3-diene
CID 54091831
2,6-diphenyl-3,4-dihydropyridine;yttrium
CID 59738556
3-phenylcyclohept-3-en-1-one
CID 100969952
2,2,7-triphenyl-1-aza-2λ5-phosphacyclohepta-1,6-diene
CID 100981586
1-methyl-3-phenyl-1,4,5,6-tetrahydroinden-2-one
CID 102574347
5-phenyl-8,9-dihydro-7H-benzo[7]annulene
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1-(4-phenylphenyl)cycloheptene
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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5,6-dihydro-4H-indole?
The IUPAC name of 3-phenyl-5,6-dihydro-4H-indole (CID 10081370) is 3-phenyl-5,6-dihydro-4H-indole.
What is the SMILES notation for 3-phenyl-5,6-dihydro-4H-indole?
The canonical SMILES for 3-phenyl-5,6-dihydro-4H-indole is C1=NC2=CCCCC2=C1c1ccccc1.
What is the InChIKey of 3-phenyl-5,6-dihydro-4H-indole?
The InChIKey is KIUATBLRQMOZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-3,6-7,9-10H,4-5,8H2.
What are the key properties of 3-phenyl-5,6-dihydro-4H-indole?
3-phenyl-5,6-dihydro-4H-indole has a molecular weight of 195.27 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5,6-dihydro-4H-indole is sourced from PubChem (CID 10081370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).