3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol

C90H101N7O6 — CID 158903140

About 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol

3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol (PubChem CID 158903140) has the molecular formula C90H101N7O6 and a molecular weight of 1376.84 g/mol. Its IUPAC name is 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol.

Molecular Properties

• Compound Name: 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol
• PubChem CID: 158903140
• Molecular Formula: C90H101N7O6
• Molecular Weight: 1376.84 g/mol
• Exact Mass: 1375.78
• IUPAC Name: 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol
• SMILES: CC(C)N1CC=C(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CN(C)CCn1cc(-c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)nn1.OCCC/C(=C(/c1ccc(N2CCN(C3CC3)CC2)cc1)c1cccc(O)c1)c1ccccc1
• InChI: InChI=1S/C31H35NO2.C30H34N2O2.C29H32N4O2/c1-23(2)32-20-18-25(19-21-32)24-10-12-27(13-11-24)31(28-14-16-29(34)17-15-28)30(9-6-22-33)26-7-4-3-5-8-26;33-21-5-10-29(23-6-2-1-3-7-23)30(25-8-4-9-28(34)22-25)24-11-13-26(14-12-24)31-17-19-32(20-18-31)27-15-16-27;1-32(2)18-19-33-21-28(30-31-33)23-10-12-24(13-11-23)29(25-14-16-26(35)17-15-25)27(9-6-20-34)22-7-4-3-5-8-22/h3-5,7-8,10-18,23,33-34H,6,9,19-22H2,1-2H3;1-4,6-9,11-14,22,27,33-34H,5,10,15-21H2;3-5,7-8,10-17,21,34-35H,6,9,18-20H2,1-2H3/b31-30+;30-29+;29-27+
• InChIKey: JFRWOONBPLTPKR-PSYFZPLASA-N
• XLogP: 16.97
• TPSA: 165.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1376.84
LogP ≤ 5	16.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol?

The IUPAC name of 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol (CID 158903140) is 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol.

What is the SMILES notation for 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol?

The canonical SMILES for 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol is CC(C)N1CC=C(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1.CN(C)CCn1cc(-c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)nn1.OCCC/C(=C(/c1ccc(N2CCN(C3CC3)CC2)cc1)c1cccc(O)c1)c1ccccc1.

What is the InChIKey of 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol?

The InChIKey is JFRWOONBPLTPKR-PSYFZPLASA-N. The full InChI is InChI=1S/C31H35NO2.C30H34N2O2.C29H32N4O2/c1-23(2)32-20-18-25(19-21-32)24-10-12-27(13-11-24)31(28-14-16-29(34)17-15-28)30(9-6-22-33)26-7-4-3-5-8-26;33-21-5-10-29(23-6-2-1-3-7-23)30(25-8-4-9-28(34)22-25)24-11-13-26(14-12-24)31-17-19-32(20-18-31)27-15-16-27;1-32(2)18-19-33-21-28(30-31-33)23-10-12-24(13-11-23)29(25-14-16-26(35)17-15-25)27(9-6-20-34)22-7-4-3-5-8-22/h3-5,7-8,10-18,23,33-34H,6,9,19-22H2,1-2H3;1-4,6-9,11-14,22,27,33-34H,5,10,15-21H2;3-5,7-8,10-17,21,34-35H,6,9,18-20H2,1-2H3/b31-30+;30-29+;29-27+.

What are the key properties of 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol?

3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol has a molecular weight of 1376.84 g/mol, XLogP of 16.97, 26 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-1-[4-[1-[2-(dimethylamino)ethyl]triazol-4-yl]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenol;4-[(E)-5-hydroxy-2-phenyl-1-[4-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pent-1-enyl]phenol is sourced from PubChem (CID 158903140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).