2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole

C34H32N8 — CID 136650987

IUPAC2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole
SMILESCc1ccc(-c2ccc(C3=NC(=c4cc/c(=c5/ccc(=C6CCC(c7ccc(-c8ccc(C)[nH]8)[nH]7)=N6)[nH]5)[nH]4)CC3)[nH]2)[nH]1
InChIInChI=1S/C34H32N8/c1-19-3-5-21(35-19)23-7-9-25(37-23)27-11-13-29(39-27)31-15-17-33(41-31)34-18-16-32(42-34)30-14-12-28(40-30)26-10-8-24(38-26)22-6-4-20(2)36-22/h3-10,15-18,35-38,41-42H,11-14H2,1-2H3/b31-29?,32-30?,34-33+
InChIKeyYEWOKTDNVAKAJZ-XPZFIANFSA-N
MW552.69 g/mol
LogP5.68
Rot. Bonds4

About 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole

2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole (PubChem CID 136650987) has the molecular formula C34H32N8 and a molecular weight of 552.69 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole
PubChem CID136650987
Molecular FormulaC34H32N8
Molecular Weight552.69 g/mol
Exact Mass552.27
IUPAC Name2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole
SMILESCc1ccc(-c2ccc(C3=NC(=c4cc/c(=c5/ccc(=C6CCC(c7ccc(-c8ccc(C)[nH]8)[nH]7)=N6)[nH]5)[nH]4)CC3)[nH]2)[nH]1
InChIInChI=1S/C34H32N8/c1-19-3-5-21(35-19)23-7-9-25(37-23)27-11-13-29(39-27)31-15-17-33(41-31)34-18-16-32(42-34)30-14-12-28(40-30)26-10-8-24(38-26)22-6-4-20(2)36-22/h3-10,15-18,35-38,41-42H,11-14H2,1-2H3/b31-29?,32-30?,34-33+
InChIKeyYEWOKTDNVAKAJZ-XPZFIANFSA-N
XLogP5.68
TPSA119.46 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500552.69
LogP ≤ 55.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Analyze 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole?
The IUPAC name of 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole (CID 136650987) is 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole?
The canonical SMILES for 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole is Cc1ccc(-c2ccc(C3=NC(=c4cc/c(=c5/ccc(=C6CCC(c7ccc(-c8ccc(C)[nH]8)[nH]7)=N6)[nH]5)[nH]4)CC3)[nH]2)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole?
The InChIKey is YEWOKTDNVAKAJZ-XPZFIANFSA-N. The full InChI is InChI=1S/C34H32N8/c1-19-3-5-21(35-19)23-7-9-25(37-23)27-11-13-29(39-27)31-15-17-33(41-31)34-18-16-32(42-34)30-14-12-28(40-30)26-10-8-24(38-26)22-6-4-20(2)36-22/h3-10,15-18,35-38,41-42H,11-14H2,1-2H3/b31-29?,32-30?,34-33+.
What are the key properties of 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole?
2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole has a molecular weight of 552.69 g/mol, XLogP of 5.68, 4 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrrol-2-yl)-5-[5-[(5E)-5-[5-[5-[5-(5-methyl-1H-pyrrol-2-yl)-1H-pyrrol-2-yl]-3,4-dihydropyrrol-2-ylidene]pyrrol-2-ylidene]pyrrol-2-ylidene]-3,4-dihydropyrrol-2-yl]-1H-pyrrole is sourced from PubChem (CID 136650987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).