6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole

C27H20N2 — CID 56851732

IUPAC6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole
SMILESc1ccc2cc(Cn3ccc4ccc(-c5ccc6cc[nH]c6c5)cc43)ccc2c1
InChIInChI=1S/C27H20N2/c1-2-4-23-15-19(5-6-20(23)3-1)18-29-14-12-22-8-10-25(17-27(22)29)24-9-7-21-11-13-28-26(21)16-24/h1-17,28H,18H2
InChIKeyIXIZZAVCBUPUCN-UHFFFAOYSA-N
MW372.47 g/mol
LogP6.99
Rot. Bonds3

About 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole

6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole (PubChem CID 56851732) has the molecular formula C27H20N2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole.

Molecular Properties

Compound Name6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole
PubChem CID56851732
Molecular FormulaC27H20N2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole
SMILESc1ccc2cc(Cn3ccc4ccc(-c5ccc6cc[nH]c6c5)cc43)ccc2c1
InChIInChI=1S/C27H20N2/c1-2-4-23-15-19(5-6-20(23)3-1)18-29-14-12-22-8-10-25(17-27(22)29)24-9-7-21-11-13-28-26(21)16-24/h1-17,28H,18H2
InChIKeyIXIZZAVCBUPUCN-UHFFFAOYSA-N
XLogP6.99
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole?
The IUPAC name of 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole (CID 56851732) is 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole.
What is the SMILES notation for 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole?
The canonical SMILES for 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole is c1ccc2cc(Cn3ccc4ccc(-c5ccc6cc[nH]c6c5)cc43)ccc2c1.
What is the InChIKey of 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole?
The InChIKey is IXIZZAVCBUPUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2/c1-2-4-23-15-19(5-6-20(23)3-1)18-29-14-12-22-8-10-25(17-27(22)29)24-9-7-21-11-13-28-26(21)16-24/h1-17,28H,18H2.
What are the key properties of 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole?
6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole has a molecular weight of 372.47 g/mol, XLogP of 6.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole is sourced from PubChem (CID 56851732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).