2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole

C30H27N — CID 71418537

IUPAC2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole
SMILESCc1cc(Cc2ccccc2)c(Cc2ccccc2)n1Cc1cccc2ccccc12
InChIInChI=1S/C30H27N/c1-23-19-28(20-24-11-4-2-5-12-24)30(21-25-13-6-3-7-14-25)31(23)22-27-17-10-16-26-15-8-9-18-29(26)27/h2-19H,20-22H2,1H3
InChIKeyWHEUBDZMGDBTBY-UHFFFAOYSA-N
MW401.55 g/mol
LogP7.18
Rot. Bonds6

About 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole

2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole (PubChem CID 71418537) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole.

Molecular Properties

Compound Name2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole
PubChem CID71418537
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole
SMILESCc1cc(Cc2ccccc2)c(Cc2ccccc2)n1Cc1cccc2ccccc12
InChIInChI=1S/C30H27N/c1-23-19-28(20-24-11-4-2-5-12-24)30(21-25-13-6-3-7-14-25)31(23)22-27-17-10-16-26-15-8-9-18-29(26)27/h2-19H,20-22H2,1H3
InChIKeyWHEUBDZMGDBTBY-UHFFFAOYSA-N
XLogP7.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole?
The IUPAC name of 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole (CID 71418537) is 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole.
What is the SMILES notation for 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole?
The canonical SMILES for 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole is Cc1cc(Cc2ccccc2)c(Cc2ccccc2)n1Cc1cccc2ccccc12.
What is the InChIKey of 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole?
The InChIKey is WHEUBDZMGDBTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-23-19-28(20-24-11-4-2-5-12-24)30(21-25-13-6-3-7-14-25)31(23)22-27-17-10-16-26-15-8-9-18-29(26)27/h2-19H,20-22H2,1H3.
What are the key properties of 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole?
2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole has a molecular weight of 401.55 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-5-methyl-1-(naphthalen-1-ylmethyl)pyrrole is sourced from PubChem (CID 71418537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).