2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole

C50H42N4O4 — CID 123152883

IUPAC2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole
SMILESCOc1cccc(-c2c[nH]c(-c3cc(-c4ccc(-c5cccc(OC)c5)[nH]4)c(-c4ccc(-c5cccc(OC)c5)[nH]4)cc3-c3ccc(-c4cccc(OC)c4)[nH]3)c2)c1
InChIInChI=1S/C50H42N4O4/c1-55-36-13-5-9-31(23-36)35-27-50(51-30-35)43-29-41(48-21-18-45(53-48)33-11-7-15-38(25-33)57-3)40(47-20-17-44(52-47)32-10-6-14-37(24-32)56-2)28-42(43)49-22-19-46(54-49)34-12-8-16-39(26-34)58-4/h5-30,51-54H,1-4H3
InChIKeyBXWOFWXFAFCXSN-UHFFFAOYSA-N
MW762.91 g/mol
LogP12.37
Rot. Bonds12

About 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole

2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole (PubChem CID 123152883) has the molecular formula C50H42N4O4 and a molecular weight of 762.91 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole
PubChem CID123152883
Molecular FormulaC50H42N4O4
Molecular Weight762.91 g/mol
Exact Mass762.32
IUPAC Name2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole
SMILESCOc1cccc(-c2c[nH]c(-c3cc(-c4ccc(-c5cccc(OC)c5)[nH]4)c(-c4ccc(-c5cccc(OC)c5)[nH]4)cc3-c3ccc(-c4cccc(OC)c4)[nH]3)c2)c1
InChIInChI=1S/C50H42N4O4/c1-55-36-13-5-9-31(23-36)35-27-50(51-30-35)43-29-41(48-21-18-45(53-48)33-11-7-15-38(25-33)57-3)40(47-20-17-44(52-47)32-10-6-14-37(24-32)56-2)28-42(43)49-22-19-46(54-49)34-12-8-16-39(26-34)58-4/h5-30,51-54H,1-4H3
InChIKeyBXWOFWXFAFCXSN-UHFFFAOYSA-N
XLogP12.37
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.91
LogP ≤ 512.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole with MolForge

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Related Compounds

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CID 155539876
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,3,5,6-tetramethylphenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155550885
3-[[4-[bis(5-hydroxy-1H-indol-3-yl)methyl]-2,5-dimethylphenyl]-(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 155561019
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole?
The IUPAC name of 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole (CID 123152883) is 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole?
The canonical SMILES for 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole is COc1cccc(-c2c[nH]c(-c3cc(-c4ccc(-c5cccc(OC)c5)[nH]4)c(-c4ccc(-c5cccc(OC)c5)[nH]4)cc3-c3ccc(-c4cccc(OC)c4)[nH]3)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole?
The InChIKey is BXWOFWXFAFCXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N4O4/c1-55-36-13-5-9-31(23-36)35-27-50(51-30-35)43-29-41(48-21-18-45(53-48)33-11-7-15-38(25-33)57-3)40(47-20-17-44(52-47)32-10-6-14-37(24-32)56-2)28-42(43)49-22-19-46(54-49)34-12-8-16-39(26-34)58-4/h5-30,51-54H,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole?
2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole has a molecular weight of 762.91 g/mol, XLogP of 12.37, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-[2-[4-(3-methoxyphenyl)-1H-pyrrol-2-yl]-4,5-bis[5-(3-methoxyphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrole is sourced from PubChem (CID 123152883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).