[(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane

C36H40N2Si — CID 58634230

IUPAC[(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane
SMILESCC[C@H]1NC2C(c3cccc(-c4ccccc4)c3)=CC=C[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C36H40N2Si/c1-4-34-37-35-28(27-17-12-16-26(24-27)25-14-6-5-7-15-25)22-13-23-33(35)38(34)39(2,3)36-31-20-10-8-18-29(31)30-19-9-11-21-32(30)36/h5-24,29-37H,4H2,1-3H3/t29?,30?,31?,32?,33-,34+,35?,36?/m1/s1
InChIKeyVSBVEBKERCQLQR-RSOLDHHNSA-N
MW528.82 g/mol
LogP7.99
Rot. Bonds5

About [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane

[(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane (PubChem CID 58634230) has the molecular formula C36H40N2Si and a molecular weight of 528.82 g/mol. Its IUPAC name is [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane.

Molecular Properties

Compound Name[(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane
PubChem CID58634230
Molecular FormulaC36H40N2Si
Molecular Weight528.82 g/mol
Exact Mass528.30
IUPAC Name[(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane
SMILESCC[C@H]1NC2C(c3cccc(-c4ccccc4)c3)=CC=C[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C36H40N2Si/c1-4-34-37-35-28(27-17-12-16-26(24-27)25-14-6-5-7-15-25)22-13-23-33(35)38(34)39(2,3)36-31-20-10-8-18-29(31)30-19-9-11-21-32(30)36/h5-24,29-37H,4H2,1-3H3/t29?,30?,31?,32?,33-,34+,35?,36?/m1/s1
InChIKeyVSBVEBKERCQLQR-RSOLDHHNSA-N
XLogP7.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.82
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(7aR)-2,2-dimethyl-4-(3-phenylphenyl)-3a,7a-dihydrobenzimidazol-3-id-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium
CID 58634538
[(2S,3aS)-7-phenyl-2-propan-2-yl-1,2,3a,7a-tetrahydroimidazo[4,5-b]pyridin-3-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane
CID 58634360
[(2R,3aS,7aS)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-(10H-phenazin-5-yl)silane
CID 58634764
[(2S,3aS,7aS)-4-(3-phenylphenyl)-2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethyl-phenazin-10-id-5-ylsilane;carbanide;dichlorotitanium
CID 58634317
1,3-diphenylbenzene;ethane;methane
CID 171489435
bis(1,3-diphenylbenzene);ethane
CID 144938975
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164991376
[(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
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236

Frequently Asked Questions

What is the IUPAC name of [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
The IUPAC name of [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane (CID 58634230) is [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane.
What is the SMILES notation for [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
The canonical SMILES for [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane is CC[C@H]1NC2C(c3cccc(-c4ccccc4)c3)=CC=C[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
The InChIKey is VSBVEBKERCQLQR-RSOLDHHNSA-N. The full InChI is InChI=1S/C36H40N2Si/c1-4-34-37-35-28(27-17-12-16-26(24-27)25-14-6-5-7-15-25)22-13-23-33(35)38(34)39(2,3)36-31-20-10-8-18-29(31)30-19-9-11-21-32(30)36/h5-24,29-37H,4H2,1-3H3/t29?,30?,31?,32?,33-,34+,35?,36?/m1/s1.
What are the key properties of [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane?
[(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane has a molecular weight of 528.82 g/mol, XLogP of 7.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,7aR)-2-ethyl-4-(3-phenylphenyl)-2,3,3a,7a-tetrahydrobenzimidazol-1-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane is sourced from PubChem (CID 58634230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).