3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole

C52H45NO5 — CID 141383099

IUPAC3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c2)cc1
InChIInChI=1S/C52H45NO5/c1-54-46-26-22-39(23-27-46)32-53-33-47(44-24-28-49(55-35-40-14-6-2-7-15-40)51(30-44)57-37-42-18-10-4-11-19-42)48(34-53)45-25-29-50(56-36-41-16-8-3-9-17-41)52(31-45)58-38-43-20-12-5-13-21-43/h2-31,33-34H,32,35-38H2,1H3
InChIKeyUWBWBEJAXXQNSK-UHFFFAOYSA-N
MW763.93 g/mol
LogP12.19
Rot. Bonds17

About 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole

3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole (PubChem CID 141383099) has the molecular formula C52H45NO5 and a molecular weight of 763.93 g/mol. Its IUPAC name is 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole.

Molecular Properties

Compound Name3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
PubChem CID141383099
Molecular FormulaC52H45NO5
Molecular Weight763.93 g/mol
Exact Mass763.33
IUPAC Name3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole
SMILESCOc1ccc(Cn2cc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c2)cc1
InChIInChI=1S/C52H45NO5/c1-54-46-26-22-39(23-27-46)32-53-33-47(44-24-28-49(55-35-40-14-6-2-7-15-40)51(30-44)57-37-42-18-10-4-11-19-42)48(34-53)45-25-29-50(56-36-41-16-8-3-9-17-41)52(31-45)58-38-43-20-12-5-13-21-43/h2-31,33-34H,32,35-38H2,1H3
InChIKeyUWBWBEJAXXQNSK-UHFFFAOYSA-N
XLogP12.19
TPSA51.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.93
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole with MolForge

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Related Compounds

3-methoxy-4-phenyl-1-[(6-phenylmethoxynaphthalen-2-yl)methyl]pyrrole
CID 70123556
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
1-[3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-1-phenylmethoxyethanol
CID 67742855
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865
[4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrol-3-yl]methanol
CID 23025097
methyl 4-phenyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrole-3-carboxylate
CID 23024961
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
2-(4-methoxyphenyl)-6-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 71192052
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole?
The IUPAC name of 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole (CID 141383099) is 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole.
What is the SMILES notation for 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole?
The canonical SMILES for 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole is COc1ccc(Cn2cc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c2)cc1.
What is the InChIKey of 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole?
The InChIKey is UWBWBEJAXXQNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45NO5/c1-54-46-26-22-39(23-27-46)32-53-33-47(44-24-28-49(55-35-40-14-6-2-7-15-40)51(30-44)57-37-42-18-10-4-11-19-42)48(34-53)45-25-29-50(56-36-41-16-8-3-9-17-41)52(31-45)58-38-43-20-12-5-13-21-43/h2-31,33-34H,32,35-38H2,1H3.
What are the key properties of 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole?
3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole has a molecular weight of 763.93 g/mol, XLogP of 12.19, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[3,4-bis(phenylmethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrrole is sourced from PubChem (CID 141383099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).