carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium

C33H40ClN3O3Y-2 — CID 58018175

About carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium

carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium (PubChem CID 58018175) has the molecular formula C33H40ClN3O3Y-2 and a molecular weight of 651.06 g/mol. Its IUPAC name is carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium.

Molecular Properties

• Compound Name: carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium
• PubChem CID: 58018175
• Molecular Formula: C33H40ClN3O3Y-2
• Molecular Weight: 651.06 g/mol
• Exact Mass: 650.18
• IUPAC Name: carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium
• SMILES: C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc3cc(OCC4CCN(C)CC4)ccc3[nH]2)c2cc(O)c3ccccc3c21.[CH2-]C.[CH3-].[Y]
• InChI: InChI=1S/C30H32ClN3O3.C2H5.CH3.Y/c1-18(31)24-16-34(27-15-28(35)22-5-3-4-6-23(22)29(24)27)30(36)26-14-20-13-21(7-8-25(20)32-26)37-17-19-9-11-33(2)12-10-19;1-2;;/h3-8,13-15,18-19,24,32,35H,9-12,16-17H2,1-2H3;1H2,2H3;1H3;/q;2*-1;/t18-,24+;;;/m1.../s1
• InChIKey: YGPRHQHIVOIAMP-LHGLSIFBSA-N
• XLogP: 7.41
• TPSA: 68.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.06
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium?

The IUPAC name of carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium (CID 58018175) is carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium.

What is the SMILES notation for carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium?

The canonical SMILES for carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium is C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc3cc(OCC4CCN(C)CC4)ccc3[nH]2)c2cc(O)c3ccccc3c21.[CH2-]C.[CH3-].[Y].

What is the InChIKey of carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium?

The InChIKey is YGPRHQHIVOIAMP-LHGLSIFBSA-N. The full InChI is InChI=1S/C30H32ClN3O3.C2H5.CH3.Y/c1-18(31)24-16-34(27-15-28(35)22-5-3-4-6-23(22)29(24)27)30(36)26-14-20-13-21(7-8-25(20)32-26)37-17-19-9-11-33(2)12-10-19;1-2;;/h3-8,13-15,18-19,24,32,35H,9-12,16-17H2,1-2H3;1H2,2H3;1H3;/q;2*-1;/t18-,24+;;;/m1.../s1.

What are the key properties of carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium?

carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium has a molecular weight of 651.06 g/mol, XLogP of 7.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[(1-methylpiperidin-4-yl)methoxy]-1H-indol-2-yl]methanone;ethane;yttrium is sourced from PubChem (CID 58018175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).