1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole

C30H24N6 — CID 2769422

IUPAC1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole
SMILESc1ccn(-c2c(-n3cccc3)c(-n3cccc3)c(-n3cccc3)c(-n3cccc3)c2-n2cccc2)c1
InChIInChI=1S/C30H24N6/c1-2-14-31(13-1)25-26(32-15-3-4-16-32)28(34-19-7-8-20-34)30(36-23-11-12-24-36)29(35-21-9-10-22-35)27(25)33-17-5-6-18-33/h1-24H
InChIKeyLLQRRQZTMPJPMZ-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.43
Rot. Bonds6

About 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole

1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole (PubChem CID 2769422) has the molecular formula C30H24N6 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole.

Molecular Properties

Compound Name1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole
PubChem CID2769422
Molecular FormulaC30H24N6
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole
SMILESc1ccn(-c2c(-n3cccc3)c(-n3cccc3)c(-n3cccc3)c(-n3cccc3)c2-n2cccc2)c1
InChIInChI=1S/C30H24N6/c1-2-14-31(13-1)25-26(32-15-3-4-16-32)28(34-19-7-8-20-34)30(36-23-11-12-24-36)29(35-21-9-10-22-35)27(25)33-17-5-6-18-33/h1-24H
InChIKeyLLQRRQZTMPJPMZ-UHFFFAOYSA-N
XLogP6.43
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole?
The IUPAC name of 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole (CID 2769422) is 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole.
What is the SMILES notation for 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole?
The canonical SMILES for 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole is c1ccn(-c2c(-n3cccc3)c(-n3cccc3)c(-n3cccc3)c(-n3cccc3)c2-n2cccc2)c1.
What is the InChIKey of 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole?
The InChIKey is LLQRRQZTMPJPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6/c1-2-14-31(13-1)25-26(32-15-3-4-16-32)28(34-19-7-8-20-34)30(36-23-11-12-24-36)29(35-21-9-10-22-35)27(25)33-17-5-6-18-33/h1-24H.
What are the key properties of 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole?
1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole has a molecular weight of 468.56 g/mol, XLogP of 6.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4,5,6-penta(pyrrol-1-yl)phenyl]pyrrole is sourced from PubChem (CID 2769422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).