[(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane

C32H36N2Si — CID 58634752

IUPAC[(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane
SMILESCC1(C)NC2C(C#Cc3ccccc3)=CC=C[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C32H36N2Si/c1-32(2)33-30-24(22-21-23-13-6-5-7-14-23)15-12-20-29(30)34(32)35(3,4)31-27-18-10-8-16-25(27)26-17-9-11-19-28(26)31/h5-20,25-31,33H,1-4H3/t25?,26?,27?,28?,29-,30?,31?/m1/s1
InChIKeyAIQMFCFDJITOPJ-RIASFIFBSA-N
MW476.74 g/mol
LogP6.22
Rot. Bonds2

About [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane

[(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane (PubChem CID 58634752) has the molecular formula C32H36N2Si and a molecular weight of 476.74 g/mol. Its IUPAC name is [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane.

Molecular Properties

Compound Name[(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane
PubChem CID58634752
Molecular FormulaC32H36N2Si
Molecular Weight476.74 g/mol
Exact Mass476.26
IUPAC Name[(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane
SMILESCC1(C)NC2C(C#Cc3ccccc3)=CC=C[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C32H36N2Si/c1-32(2)33-30-24(22-21-23-13-6-5-7-14-23)15-12-20-29(30)34(32)35(3,4)31-27-18-10-8-16-25(27)26-17-9-11-19-28(26)31/h5-20,25-31,33H,1-4H3/t25?,26?,27?,28?,29-,30?,31?/m1/s1
InChIKeyAIQMFCFDJITOPJ-RIASFIFBSA-N
XLogP6.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.74
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane with MolForge

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Related Compounds

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CID 10939703
CID 10939703
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Frequently Asked Questions

What is the IUPAC name of [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
The IUPAC name of [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane (CID 58634752) is [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane.
What is the SMILES notation for [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
The canonical SMILES for [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane is CC1(C)NC2C(C#Cc3ccccc3)=CC=C[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
The InChIKey is AIQMFCFDJITOPJ-RIASFIFBSA-N. The full InChI is InChI=1S/C32H36N2Si/c1-32(2)33-30-24(22-21-23-13-6-5-7-14-23)15-12-20-29(30)34(32)35(3,4)31-27-18-10-8-16-25(27)26-17-9-11-19-28(26)31/h5-20,25-31,33H,1-4H3/t25?,26?,27?,28?,29-,30?,31?/m1/s1.
What are the key properties of [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
[(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane has a molecular weight of 476.74 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aR)-2,2-dimethyl-4-(2-phenylethynyl)-3a,7a-dihydro-3H-benzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane is sourced from PubChem (CID 58634752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).