5-[2-(1H-indol-5-yl)phenyl]-1H-indole

C22H16N2 — CID 102414263

IUPAC5-[2-(1H-indol-5-yl)phenyl]-1H-indole
SMILESc1ccc(-c2ccc3[nH]ccc3c2)c(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C22H16N2/c1-2-4-20(16-6-8-22-18(14-16)10-12-24-22)19(3-1)15-5-7-21-17(13-15)9-11-23-21/h1-14,23-24H
InChIKeyZQTORDGMLMQOPL-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.98
Rot. Bonds2

About 5-[2-(1H-indol-5-yl)phenyl]-1H-indole

5-[2-(1H-indol-5-yl)phenyl]-1H-indole (PubChem CID 102414263) has the molecular formula C22H16N2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-[2-(1H-indol-5-yl)phenyl]-1H-indole.

Molecular Properties

Compound Name5-[2-(1H-indol-5-yl)phenyl]-1H-indole
PubChem CID102414263
Molecular FormulaC22H16N2
Molecular Weight308.38 g/mol
Exact Mass308.13
IUPAC Name5-[2-(1H-indol-5-yl)phenyl]-1H-indole
SMILESc1ccc(-c2ccc3[nH]ccc3c2)c(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C22H16N2/c1-2-4-20(16-6-8-22-18(14-16)10-12-24-22)19(3-1)15-5-7-21-17(13-15)9-11-23-21/h1-14,23-24H
InChIKeyZQTORDGMLMQOPL-UHFFFAOYSA-N
XLogP5.98
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1H-indol-5-yl)benzonitrile
CID 21468934
2-hydroxy-6-(1H-indol-5-yl)benzoic acid
CID 174341729
5-[2-[(2-phenylphenyl)methoxy]phenyl]-1H-indole
CID 141077944
4-(1H-indol-5-yl)-1H-indazol-3-amine
CID 11288115
4-(1H-indol-5-yl)-N-phenylaniline
CID 134533945
5-(2,4-difluorophenyl)-1H-indole
CID 10176960
5-[2-chloro-4-(trifluoromethyl)phenyl]-1H-indole
CID 134329054
5-(1-benzothiophen-2-yl)-1H-indole
CID 53408080
5,6-diphenyl-1H-indole
CID 174399063
6-naphthalen-1-yl-1H-indole
CID 19779684
5-(4-tert-butylphenyl)-1H-indole
CID 16768580
3-(1H-indol-5-yl)-N-methylaniline
CID 116996135

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-5-yl)phenyl]-1H-indole?
The IUPAC name of 5-[2-(1H-indol-5-yl)phenyl]-1H-indole (CID 102414263) is 5-[2-(1H-indol-5-yl)phenyl]-1H-indole.
What is the SMILES notation for 5-[2-(1H-indol-5-yl)phenyl]-1H-indole?
The canonical SMILES for 5-[2-(1H-indol-5-yl)phenyl]-1H-indole is c1ccc(-c2ccc3[nH]ccc3c2)c(-c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 5-[2-(1H-indol-5-yl)phenyl]-1H-indole?
The InChIKey is ZQTORDGMLMQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2/c1-2-4-20(16-6-8-22-18(14-16)10-12-24-22)19(3-1)15-5-7-21-17(13-15)9-11-23-21/h1-14,23-24H.
What are the key properties of 5-[2-(1H-indol-5-yl)phenyl]-1H-indole?
5-[2-(1H-indol-5-yl)phenyl]-1H-indole has a molecular weight of 308.38 g/mol, XLogP of 5.98, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-5-yl)phenyl]-1H-indole is sourced from PubChem (CID 102414263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).