2-phenyl-6H-isoindolo[2,1-a]indole

C21H15N — CID 102297045

IUPAC2-phenyl-6H-isoindolo[2,1-a]indole
SMILESc1ccc(-c2ccc3c(c2)cc2n3Cc3ccccc3-2)cc1
InChIInChI=1S/C21H15N/c1-2-6-15(7-3-1)16-10-11-20-18(12-16)13-21-19-9-5-4-8-17(19)14-22(20)21/h1-13H,14H2
InChIKeyPCHQUGTYVBYLCT-UHFFFAOYSA-N
MW281.36 g/mol
LogP5.34
Rot. Bonds1

About 2-phenyl-6H-isoindolo[2,1-a]indole

2-phenyl-6H-isoindolo[2,1-a]indole (PubChem CID 102297045) has the molecular formula C21H15N and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-phenyl-6H-isoindolo[2,1-a]indole.

Molecular Properties

Compound Name2-phenyl-6H-isoindolo[2,1-a]indole
PubChem CID102297045
Molecular FormulaC21H15N
Molecular Weight281.36 g/mol
Exact Mass281.12
IUPAC Name2-phenyl-6H-isoindolo[2,1-a]indole
SMILESc1ccc(-c2ccc3c(c2)cc2n3Cc3ccccc3-2)cc1
InChIInChI=1S/C21H15N/c1-2-6-15(7-3-1)16-10-11-20-18(12-16)13-21-19-9-5-4-8-17(19)14-22(20)21/h1-13H,14H2
InChIKeyPCHQUGTYVBYLCT-UHFFFAOYSA-N
XLogP5.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
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CID 58971457
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9-phenyl-17-(7-phenylnaphthalen-2-yl)-9,17-diazaheptacyclo[11.11.0.02,10.03,8.04,22.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6H-isoindolo[2,1-a]indole?
The IUPAC name of 2-phenyl-6H-isoindolo[2,1-a]indole (CID 102297045) is 2-phenyl-6H-isoindolo[2,1-a]indole.
What is the SMILES notation for 2-phenyl-6H-isoindolo[2,1-a]indole?
The canonical SMILES for 2-phenyl-6H-isoindolo[2,1-a]indole is c1ccc(-c2ccc3c(c2)cc2n3Cc3ccccc3-2)cc1.
What is the InChIKey of 2-phenyl-6H-isoindolo[2,1-a]indole?
The InChIKey is PCHQUGTYVBYLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N/c1-2-6-15(7-3-1)16-10-11-20-18(12-16)13-21-19-9-5-4-8-17(19)14-22(20)21/h1-13H,14H2.
What are the key properties of 2-phenyl-6H-isoindolo[2,1-a]indole?
2-phenyl-6H-isoindolo[2,1-a]indole has a molecular weight of 281.36 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6H-isoindolo[2,1-a]indole is sourced from PubChem (CID 102297045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).