2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C24H22N4 — CID 12985715

IUPAC2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(C(c2ccc(C(c3ccc[nH]3)c3ccc[nH]3)cc2)c2ccc[nH]2)c1
InChIInChI=1S/C24H22N4/c1-5-19(25-13-1)23(20-6-2-14-26-20)17-9-11-18(12-10-17)24(21-7-3-15-27-21)22-8-4-16-28-22/h1-16,23-28H
InChIKeyHKOLNLVENDTVHB-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.36
Rot. Bonds6

About 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 12985715) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID12985715
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESc1c[nH]c(C(c2ccc(C(c3ccc[nH]3)c3ccc[nH]3)cc2)c2ccc[nH]2)c1
InChIInChI=1S/C24H22N4/c1-5-19(25-13-1)23(20-6-2-14-26-20)17-9-11-18(12-10-17)24(21-7-3-15-27-21)22-8-4-16-28-22/h1-16,23-28H
InChIKeyHKOLNLVENDTVHB-UHFFFAOYSA-N
XLogP5.36
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 12985715) is 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is c1c[nH]c(C(c2ccc(C(c3ccc[nH]3)c3ccc[nH]3)cc2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is HKOLNLVENDTVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-5-19(25-13-1)23(20-6-2-14-26-20)17-9-11-18(12-10-17)24(21-7-3-15-27-21)22-8-4-16-28-22/h1-16,23-28H.
What are the key properties of 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 366.47 g/mol, XLogP of 5.36, 6 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 12985715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).