N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole

C135H129N9O10 — CID 159502349

About N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole

N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole (PubChem CID 159502349) has the molecular formula C135H129N9O10 and a molecular weight of 2037.57 g/mol. Its IUPAC name is N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole.

Molecular Properties

• Compound Name: N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole
• PubChem CID: 159502349
• Molecular Formula: C135H129N9O10
• Molecular Weight: 2037.57 g/mol
• Exact Mass: 2035.99
• IUPAC Name: N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole
• SMILES: C1=CC(=Cc2ccnc(-c3cc(C=C4C=CC=C4)ccn3)c2)C=C1.CC(CC(=O)Nc1ccc(C(c2ccc(NC(=O)CC(C)=C3C=CC=C3)cc2)c2ccc(NC(=O)CC(C)=C3C=CC=C3)cc2)cc1)=C1C=CC=C1.CCN(CC)c1ccc(C(=C2C=CC=C2)c2ccc(N(CC)CC)cc2)cc1.COc1cc(C2Oc3cc(C4Oc5cccc(O)c5C(=C5C=CC=C5)C4C)ccc3OC2CO)ccc1O.Cn1ccnc1C=C1C=CC=C1
• InChI: InChI=1S/C46H43N3O3.C31H28O7.C26H32N2.C22H16N2.C10H10N2/c1-31(34-10-4-5-11-34)28-43(50)47-40-22-16-37(17-23-40)46(38-18-24-41(25-19-38)48-44(51)29-32(2)35-12-6-7-13-35)39-20-26-42(27-21-39)49-45(52)30-33(3)36-14-8-9-15-36;1-17-28(18-6-3-4-7-18)29-22(34)8-5-9-24(29)37-30(17)19-11-13-23-26(15-19)38-31(27(16-32)36-23)20-10-12-21(33)25(14-20)35-2;1-5-27(6-2)24-17-13-22(14-18-24)26(21-11-9-10-12-21)23-15-19-25(20-16-23)28(7-3)8-4;1-2-6-17(5-1)13-19-9-11-23-21(15-19)22-16-20(10-12-24-22)14-18-7-3-4-8-18;1-12-7-6-11-10(12)8-9-4-2-3-5-9/h4-27,46H,28-30H2,1-3H3,(H,47,50)(H,48,51)(H,49,52);3-15,17,27,30-34H,16H2,1-2H3;9-20H,5-8H2,1-4H3;1-16H;2-8H,1H3
• InChIKey: LZNXUSZAXWLVBL-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 234.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2037.57
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole?

The IUPAC name of N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole (CID 159502349) is N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole.

What is the SMILES notation for N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole?

The canonical SMILES for N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole is C1=CC(=Cc2ccnc(-c3cc(C=C4C=CC=C4)ccn3)c2)C=C1.CC(CC(=O)Nc1ccc(C(c2ccc(NC(=O)CC(C)=C3C=CC=C3)cc2)c2ccc(NC(=O)CC(C)=C3C=CC=C3)cc2)cc1)=C1C=CC=C1.CCN(CC)c1ccc(C(=C2C=CC=C2)c2ccc(N(CC)CC)cc2)cc1.COc1cc(C2Oc3cc(C4Oc5cccc(O)c5C(=C5C=CC=C5)C4C)ccc3OC2CO)ccc1O.Cn1ccnc1C=C1C=CC=C1.

What is the InChIKey of N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole?

The InChIKey is LZNXUSZAXWLVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H43N3O3.C31H28O7.C26H32N2.C22H16N2.C10H10N2/c1-31(34-10-4-5-11-34)28-43(50)47-40-22-16-37(17-23-40)46(38-18-24-41(25-19-38)48-44(51)29-32(2)35-12-6-7-13-35)39-20-26-42(27-21-39)49-45(52)30-33(3)36-14-8-9-15-36;1-17-28(18-6-3-4-7-18)29-22(34)8-5-9-24(29)37-30(17)19-11-13-23-26(15-19)38-31(27(16-32)36-23)20-10-12-21(33)25(14-20)35-2;1-5-27(6-2)24-17-13-22(14-18-24)26(21-11-9-10-12-21)23-15-19-25(20-16-23)28(7-3)8-4;1-2-6-17(5-1)13-19-9-11-23-21(15-19)22-16-20(10-12-24-22)14-18-7-3-4-8-18;1-12-7-6-11-10(12)8-9-4-2-3-5-9/h4-27,46H,28-30H2,1-3H3,(H,47,50)(H,48,51)(H,49,52);3-15,17,27,30-34H,16H2,1-2H3;9-20H,5-8H2,1-4H3;1-16H;2-8H,1H3.

What are the key properties of N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole?

N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole has a molecular weight of 2037.57 g/mol, XLogP of 29.21, 28 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[bis[4-(3-cyclopenta-2,4-dien-1-ylidenebutanoylamino)phenyl]methyl]phenyl]-3-cyclopenta-2,4-dien-1-ylidenebutanamide;4-[cyclopenta-2,4-dien-1-ylidene-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline;4-cyclopenta-2,4-dien-1-ylidene-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methyl-2,3-dihydrochromen-5-ol;4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-[4-(cyclopenta-2,4-dien-1-ylidenemethyl)-2-pyridinyl]pyridine;2-(cyclopenta-2,4-dien-1-ylidenemethyl)-1-methylimidazole is sourced from PubChem (CID 159502349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).