2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C37H32N4 — CID 11226377

IUPAC2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1ccc(C(c2ccc[nH]2)c2ccc(C(c3ccccc3)c3ccc(C(c4ccccc4)c4ccc[nH]4)[nH]3)[nH]2)cc1
InChIInChI=1S/C37H32N4/c1-4-12-26(13-5-1)35(29-18-10-24-38-29)31-20-22-33(40-31)37(28-16-8-3-9-17-28)34-23-21-32(41-34)36(30-19-11-25-39-30)27-14-6-2-7-15-27/h1-25,35-41H
InChIKeyODGIETFIAPDROX-UHFFFAOYSA-N
MW532.69 g/mol
LogP8.54
Rot. Bonds9

About 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 11226377) has the molecular formula C37H32N4 and a molecular weight of 532.69 g/mol. Its IUPAC name is 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID11226377
Molecular FormulaC37H32N4
Molecular Weight532.69 g/mol
Exact Mass532.26
IUPAC Name2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1ccc(C(c2ccc[nH]2)c2ccc(C(c3ccccc3)c3ccc(C(c4ccccc4)c4ccc[nH]4)[nH]3)[nH]2)cc1
InChIInChI=1S/C37H32N4/c1-4-12-26(13-5-1)35(29-18-10-24-38-29)31-20-22-33(40-31)37(28-16-8-3-9-17-28)34-23-21-32(41-34)36(30-19-11-25-39-30)27-14-6-2-7-15-27/h1-25,35-41H
InChIKeyODGIETFIAPDROX-UHFFFAOYSA-N
XLogP8.54
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 58.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 11226377) is 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole is c1ccc(C(c2ccc[nH]2)c2ccc(C(c3ccccc3)c3ccc(C(c4ccccc4)c4ccc[nH]4)[nH]3)[nH]2)cc1.
What is the InChIKey of 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is ODGIETFIAPDROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N4/c1-4-12-26(13-5-1)35(29-18-10-24-38-29)31-20-22-33(40-31)37(28-16-8-3-9-17-28)34-23-21-32(41-34)36(30-19-11-25-39-30)27-14-6-2-7-15-27/h1-25,35-41H.
What are the key properties of 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 532.69 g/mol, XLogP of 8.54, 9 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-[5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-5-[phenyl(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 11226377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).