3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole

C29H25NO2 — CID 70123556

IUPAC3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole
SMILESCOc1cn(Cc2ccc3cc(OCc4ccccc4)ccc3c2)cc1-c1ccccc1
InChIInChI=1S/C29H25NO2/c1-31-29-20-30(19-28(29)24-10-6-3-7-11-24)18-23-12-13-26-17-27(15-14-25(26)16-23)32-21-22-8-4-2-5-9-22/h2-17,19-20H,18,21H2,1H3
InChIKeyJRZDPTKIAJTVFT-UHFFFAOYSA-N
MW419.52 g/mol
LogP6.94
Rot. Bonds7

About 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole

3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole (PubChem CID 70123556) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole.

Molecular Properties

Compound Name3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole
PubChem CID70123556
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole
SMILESCOc1cn(Cc2ccc3cc(OCc4ccccc4)ccc3c2)cc1-c1ccccc1
InChIInChI=1S/C29H25NO2/c1-31-29-20-30(19-28(29)24-10-6-3-7-11-24)18-23-12-13-26-17-27(15-14-25(26)16-23)32-21-22-8-4-2-5-9-22/h2-17,19-20H,18,21H2,1H3
InChIKeyJRZDPTKIAJTVFT-UHFFFAOYSA-N
XLogP6.94
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrol-3-yl]methylidene]butanoic acid
CID 69423915
3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
CID 141383099
[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol
CID 23025097
methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate
CID 23024961
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methyl-4-[(7-phenylmethoxynaphthalen-2-yl)methyl]piperazine
CID 138106389
CID 123516675
CID 123516675
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
N-[(4-methoxyphenyl)methyl]-6-phenylmethoxynaphthalen-2-amine
CID 25139545
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole?
The IUPAC name of 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole (CID 70123556) is 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole.
What is the SMILES notation for 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole?
The canonical SMILES for 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole is COc1cn(Cc2ccc3cc(OCc4ccccc4)ccc3c2)cc1-c1ccccc1.
What is the InChIKey of 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole?
The InChIKey is JRZDPTKIAJTVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c1-31-29-20-30(19-28(29)24-10-6-3-7-11-24)18-23-12-13-26-17-27(15-14-25(26)16-23)32-21-22-8-4-2-5-9-22/h2-17,19-20H,18,21H2,1H3.
What are the key properties of 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole?
3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole has a molecular weight of 419.52 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole is sourced from PubChem (CID 70123556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).