2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole

C30H32N4 — CID 58432515

IUPAC2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
SMILESC/C=C1/CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)C1
InChIInChI=1S/C30H32N4/c1-2-20-14-28(32-17-20)30-16-26(19-34-30)24-11-7-22(8-12-24)21-5-9-23(10-6-21)25-15-29(33-18-25)27-4-3-13-31-27/h2,5-12,18-19,27-28,31-32H,3-4,13-17H2,1H3/b20-2+/t27-,28-/m0/s1
InChIKeyQSLRNQHACZOLQS-COCIXOJJSA-N
MW448.61 g/mol
LogP5.78
Rot. Bonds5

About 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole

2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole (PubChem CID 58432515) has the molecular formula C30H32N4 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole.

Molecular Properties

Compound Name2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
PubChem CID58432515
Molecular FormulaC30H32N4
Molecular Weight448.61 g/mol
Exact Mass448.26
IUPAC Name2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
SMILESC/C=C1/CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)C1
InChIInChI=1S/C30H32N4/c1-2-20-14-28(32-17-20)30-16-26(19-34-30)24-11-7-22(8-12-24)21-5-9-23(10-6-21)25-15-29(33-18-25)27-4-3-13-31-27/h2,5-12,18-19,27-28,31-32H,3-4,13-17H2,1H3/b20-2+/t27-,28-/m0/s1
InChIKeyQSLRNQHACZOLQS-COCIXOJJSA-N
XLogP5.78
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.61
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-4-[4-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58490858
2-[(2S)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58432529
2-[(2S)-4-ethyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58432545
2-[(2S)-4-cyclopropyl-2,5-dihydro-1H-pyrrol-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole
CID 58432550
(4R)-4-[4-[4-[4-[2-[(4R)-1,3-thiazolidin-4-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-1,3-thiazolidine
CID 58490872
13-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,24-tetrahydro-1H-porphyrin
CID 77749187
17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,23-tetrahydro-1H-porphyrin
CID 77754365
(5Z,10Z,14Z,19Z)-17-(4-iodophenyl)-3,3-dimethyl-10-(4-methylphenyl)-2,4,21,23-tetrahydro-1H-porphyrin
CID 88087846
(4Z,6E)-5-methyl-N-[(2-methyl-3,4-dihydropyridin-5-yl)methyl]-7-(4-methylphenyl)nona-4,6,8-trien-2-amine
CID 88235407
N-[(E)-2-[4-(4-methylphenyl)phenyl]prop-1-enyl]-1-[(2S)-pyrrolidin-2-yl]ethanimine
CID 89044637
(5Z,10Z,14Z,19Z)-15-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,21,23-tetrahydroporphyrin
CID 89086428
1-[(2S)-pyrrolidin-2-yl]-N-[(E)-2-[3-[4-[(E)-1-[1-[(2S)-pyrrolidin-2-yl]ethylideneamino]prop-1-en-2-yl]-1-bicyclo[2.2.2]octanyl]phenyl]prop-1-enyl]ethanimine
CID 90376811

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
The IUPAC name of 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole (CID 58432515) is 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole.
What is the SMILES notation for 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
The canonical SMILES for 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole is C/C=C1/CN[C@H](C2=NC=C(c3ccc(-c4ccc(C5=CN=C([C@@H]6CCCN6)C5)cc4)cc3)C2)C1.
What is the InChIKey of 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
The InChIKey is QSLRNQHACZOLQS-COCIXOJJSA-N. The full InChI is InChI=1S/C30H32N4/c1-2-20-14-28(32-17-20)30-16-26(19-34-30)24-11-7-22(8-12-24)21-5-9-23(10-6-21)25-15-29(33-18-25)27-4-3-13-31-27/h2,5-12,18-19,27-28,31-32H,3-4,13-17H2,1H3/b20-2+/t27-,28-/m0/s1.
What are the key properties of 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole?
2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole has a molecular weight of 448.61 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4E)-4-ethylidenepyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrole is sourced from PubChem (CID 58432515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).