[(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium

C33H42Cl2N2SiTi-2 — CID 58634283

About [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium

[(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium (PubChem CID 58634283) has the molecular formula C33H42Cl2N2SiTi-2 and a molecular weight of 613.57 g/mol. Its IUPAC name is [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium.

Molecular Properties

• Compound Name: [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium
• PubChem CID: 58634283
• Molecular Formula: C33H42Cl2N2SiTi-2
• Molecular Weight: 613.57 g/mol
• Exact Mass: 612.20
• IUPAC Name: [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium
• SMILES: CC(C)(C)c1ccc(C2=CC=C[C@@H]3C2[N-]CN3[Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)cc1.Cl[Ti]Cl.[CH3-]
• InChI: InChI=1S/C32H39N2Si.CH3.2ClH.Ti/c1-32(2,3)23-19-17-22(18-20-23)24-15-10-16-29-30(24)33-21-34(29)35(4,5)31-27-13-8-6-11-25(27)26-12-7-9-14-28(26)31;;;;/h6-20,25-31H,21H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2/t25?,26?,27?,28?,29-,30?,31?;;;;/m1..../s1
• InChIKey: NWIPLAHTQZUXEH-ICYRHPBASA-L
• XLogP: 9.45
• TPSA: 17.34 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.57
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium?

The IUPAC name of [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium (CID 58634283) is [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium.

What is the SMILES notation for [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium?

The canonical SMILES for [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium is CC(C)(C)c1ccc(C2=CC=C[C@@H]3C2[N-]CN3[Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)cc1.Cl[Ti]Cl.[CH3-].

What is the InChIKey of [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium?

The InChIKey is NWIPLAHTQZUXEH-ICYRHPBASA-L. The full InChI is InChI=1S/C32H39N2Si.CH3.2ClH.Ti/c1-32(2,3)23-19-17-22(18-20-23)24-15-10-16-29-30(24)33-21-34(29)35(4,5)31-27-13-8-6-11-25(27)26-12-7-9-14-28(26)31;;;;/h6-20,25-31H,21H2,1-5H3;1H3;2*1H;/q2*-1;;;+2/p-2/t25?,26?,27?,28?,29-,30?,31?;;;;/m1..../s1.

What are the key properties of [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium?

[(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium has a molecular weight of 613.57 g/mol, XLogP of 9.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(7aR)-4-(4-tert-butylphenyl)-3a,7a-dihydro-2H-benzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium is sourced from PubChem (CID 58634283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).