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

C32H38ClN3O4Y-2 — CID 58018198

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

carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium (PubChem CID 58018198) has the molecular formula C32H38ClN3O4Y-2 and a molecular weight of 653.03 g/mol. Its IUPAC name is carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-(2-morpholin-4-ylethoxy)-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-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium
• PubChem CID: 58018198
• Molecular Formula: C32H38ClN3O4Y-2
• Molecular Weight: 653.03 g/mol
• Exact Mass: 652.16
• IUPAC Name: carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium
• SMILES: C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc3cc(OCCN4CCOCC4)ccc3[nH]2)c2cc(O)c3ccccc3c21.[CH2-]C.[CH3-].[Y]
• InChI: InChI=1S/C29H30ClN3O4.C2H5.CH3.Y/c1-18(30)23-17-33(26-16-27(34)21-4-2-3-5-22(21)28(23)26)29(35)25-15-19-14-20(6-7-24(19)31-25)37-13-10-32-8-11-36-12-9-32;1-2;;/h2-7,14-16,18,23,31,34H,8-13,17H2,1H3;1H2,2H3;1H3;/q;2*-1;/t18-,23+;;;/m1.../s1
• InChIKey: MEILOKNUAHPMIQ-STIXEYAISA-N
• XLogP: 6.40
• TPSA: 78.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.03
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-(2-morpholin-4-ylethoxy)-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-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium (CID 58018198) is carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-(2-morpholin-4-ylethoxy)-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-(2-morpholin-4-ylethoxy)-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-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium is C[C@@H](Cl)[C@@H]1CN(C(=O)c2cc3cc(OCCN4CCOCC4)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-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium?

The InChIKey is MEILOKNUAHPMIQ-STIXEYAISA-N. The full InChI is InChI=1S/C29H30ClN3O4.C2H5.CH3.Y/c1-18(30)23-17-33(26-16-27(34)21-4-2-3-5-22(21)28(23)26)29(35)25-15-19-14-20(6-7-24(19)31-25)37-13-10-32-8-11-36-12-9-32;1-2;;/h2-7,14-16,18,23,31,34H,8-13,17H2,1H3;1H2,2H3;1H3;/q;2*-1;/t18-,23+;;;/m1.../s1.

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

carbanide;[(1S)-1-[(1R)-1-chloroethyl]-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium has a molecular weight of 653.03 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]methanone;ethane;yttrium is sourced from PubChem (CID 58018198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).