trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane

C32H25NO2Si — CID 164802865

IUPACtrimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane
SMILESC[Si](C)(C)c1c2c(oc3ccccc32)c(-c2ccnc(-c3ccccc3)c2)c2oc3ccccc3c12
InChIInChI=1S/C32H25NO2Si/c1-36(2,3)32-28-22-13-7-9-15-25(22)34-30(28)27(31-29(32)23-14-8-10-16-26(23)35-31)21-17-18-33-24(19-21)20-11-5-4-6-12-20/h4-19H,1-3H3
InChIKeyRRQLQTFNSIABAK-UHFFFAOYSA-N
MW483.64 g/mol
LogP8.76
Rot. Bonds3

About trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane

trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane (PubChem CID 164802865) has the molecular formula C32H25NO2Si and a molecular weight of 483.64 g/mol. Its IUPAC name is trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane
PubChem CID164802865
Molecular FormulaC32H25NO2Si
Molecular Weight483.64 g/mol
Exact Mass483.17
IUPAC Nametrimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane
SMILESC[Si](C)(C)c1c2c(oc3ccccc32)c(-c2ccnc(-c3ccccc3)c2)c2oc3ccccc3c12
InChIInChI=1S/C32H25NO2Si/c1-36(2,3)32-28-22-13-7-9-15-25(22)34-30(28)27(31-29(32)23-14-8-10-16-26(23)35-31)21-17-18-33-24(19-21)20-11-5-4-6-12-20/h4-19H,1-3H3
InChIKeyRRQLQTFNSIABAK-UHFFFAOYSA-N
XLogP8.76
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.64
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane with MolForge

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Related Compounds

trimethyl-[12-(2-phenyl-4-pyridinyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-2-yl]silane
CID 164802656
2-phenyl-4-[10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine
CID 88908907
4-(5,15-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-2-yl)-2-phenylpyridine
CID 164802783
4-(12,23-dioxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaen-14-yl)-2-phenylpyridine
CID 164802757
2-phenyl-4-(6,8,16,18-tetramethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)pyridine
CID 164802902
4-(3-methyl-1-benzofuran-2-yl)-2-naphtho[2,1-b][1]benzofuran-6-ylpyridine
CID 165167951
4-(3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaen-15-yl)-2-phenylpyridine
CID 164802692
2-(1-ethyldibenzofuran-4-yl)-4-(4-isocyanophenyl)pyridine
CID 171576860
2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458075
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-(13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26-tridecaen-16-yl)-2-phenylpyridine
CID 164802921
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776

Frequently Asked Questions

What is the IUPAC name of trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane?
The IUPAC name of trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane (CID 164802865) is trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane.
What is the SMILES notation for trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane?
The canonical SMILES for trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane is C[Si](C)(C)c1c2c(oc3ccccc32)c(-c2ccnc(-c3ccccc3)c2)c2oc3ccccc3c12.
What is the InChIKey of trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane?
The InChIKey is RRQLQTFNSIABAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO2Si/c1-36(2,3)32-28-22-13-7-9-15-25(22)34-30(28)27(31-29(32)23-14-8-10-16-26(23)35-31)21-17-18-33-24(19-21)20-11-5-4-6-12-20/h4-19H,1-3H3.
What are the key properties of trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane?
trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane has a molecular weight of 483.64 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[12-(2-phenyl-4-pyridinyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-2-yl]silane is sourced from PubChem (CID 164802865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).