carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)

C30H29NO3U — CID 163604783

About carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)

carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) (PubChem CID 163604783) has the molecular formula C30H29NO3U and a molecular weight of 689.60 g/mol. Its IUPAC name is carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+).

Molecular Properties

• Compound Name: carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)
• PubChem CID: 163604783
• Molecular Formula: C30H29NO3U
• Molecular Weight: 689.60 g/mol
• Exact Mass: 689.27
• IUPAC Name: carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)
• SMILES: COc1c[c-]c2cc(CO)c3c(c2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3.[CH3-].[U+2]
• InChI: InChI=1S/C29H26NO3.CH3.U/c1-30(2)24-12-10-23(11-13-24)29(22-7-5-4-6-8-22)16-15-26-21(19-31)17-20-9-14-25(32-3)18-27(20)28(26)33-29;;/h4-8,10-18,31H,19H2,1-3H3;1H3;/q2*-1;+2
• InChIKey: NTRGSTCENMFDLD-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.60
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?

The IUPAC name of carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) (CID 163604783) is carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+).

What is the SMILES notation for carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?

The canonical SMILES for carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) is COc1c[c-]c2cc(CO)c3c(c2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3.[CH3-].[U+2].

What is the InChIKey of carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?

The InChIKey is NTRGSTCENMFDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NO3.CH3.U/c1-30(2)24-12-10-23(11-13-24)29(22-7-5-4-6-8-22)16-15-26-21(19-31)17-20-9-14-25(32-3)18-27(20)28(26)33-29;;/h4-8,10-18,31H,19H2,1-3H3;1H3;/q2*-1;+2.

What are the key properties of carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+)?

carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) has a molecular weight of 689.60 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2-[4-(dimethylamino)phenyl]-9-methoxy-2-phenyl-7H-benzo[h]chromen-7-id-5-yl]methanol;uranium(2+) is sourced from PubChem (CID 163604783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).