[(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

C30H37N3Si — CID 58634360

IUPAC[(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
SMILESCC(C)[C@H]1NC2C(c3ccccc3)=CC=N[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C30H37N3Si/c1-20(2)29-32-27-22(21-12-6-5-7-13-21)18-19-31-30(27)33(29)34(3,4)28-25-16-10-8-14-23(25)24-15-9-11-17-26(24)28/h5-20,23-30,32H,1-4H3/t23?,24?,25?,26?,27?,28?,29-,30-/m0/s1
InChIKeyXYIZFRFVRGOSHE-ICJVHUFFSA-N
MW467.73 g/mol
LogP6.04
Rot. Bonds4

About [(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

[(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 (PubChem CID 58634360) has the molecular formula C30H37N3Si and a molecular weight of 467.73 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID58634360
Molecular FormulaC30H37N3Si
Molecular Weight467.73 g/mol
Exact Mass467.28
IUPAC Name[(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
SMILESCC(C)[C@H]1NC2C(c3ccccc3)=CC=N[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21
InChIInChI=1S/C30H37N3Si/c1-20(2)29-32-27-22(21-12-6-5-7-13-21)18-19-31-30(27)33(29)34(3,4)28-25-16-10-8-14-23(25)24-15-9-11-17-26(24)28/h5-20,23-30,32H,1-4H3/t23?,24?,25?,26?,27?,28?,29-,30-/m0/s1
InChIKeyXYIZFRFVRGOSHE-ICJVHUFFSA-N
XLogP6.04
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.73
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3aS)-2-ethyl-7-phenyl-3a,7a-dihydro-2H-imidazo[4,5-b]pyridin-1-id-3-yl]-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;dichlorotitanium
CID 58634621
[(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
(5-propan-2-ylcyclopenta-1,3-dien-1-yl)benzene
CID 175483220
[(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
4-phenyl-5-propan-2-yl-1,2,4-triazolidin-3-one
CID 19080100
[(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
2,3,3a,7a-tetrahydro-1H-inden-1-yl-dimethyl-phenylsilane
CID 59962316
7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole
CID 118508944
carbanide;dichlorotitanium;(6-ethyl-4-phenyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-7-yl)-dimethyl-piperazin-4-id-1-ylsilane
CID 58634863
[(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
6-methyl-5-phenyl-3,6-dihydro-2H-oxazine
CID 12580586
dimethyl-(2-phenyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-piperazin-1-ylsilane
CID 58634122

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(C)[C@H]1NC2C(c3ccccc3)=CC=N[C@H]2N1[Si](C)(C)C1C2C=CC=CC2C2C=CC=CC21.
What is the InChIKey of [(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?
The InChIKey is XYIZFRFVRGOSHE-ICJVHUFFSA-N. The full InChI is InChI=1S/C30H37N3Si/c1-20(2)29-32-27-22(21-12-6-5-7-13-21)18-19-31-30(27)33(29)34(3,4)28-25-16-10-8-14-23(25)24-15-9-11-17-26(24)28/h5-20,23-30,32H,1-4H3/t23?,24?,25?,26?,27?,28?,29-,30-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 467.73 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 58634360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).