trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane

C35H30Si — CID 157160990

IUPACtrimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C35H30Si/c1-36(2,3)29-23-21-26(22-24-29)25-17-19-28(20-18-25)35-32-15-9-7-13-30(32)34(27-11-5-4-6-12-27)31-14-8-10-16-33(31)35/h4-24H,1-3H3
InChIKeyVLZNUNGXRGZSMO-UHFFFAOYSA-N
MW478.71 g/mol
LogP9.54
Rot. Bonds4

About trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane

trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane (PubChem CID 157160990) has the molecular formula C35H30Si and a molecular weight of 478.71 g/mol. Its IUPAC name is trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
PubChem CID157160990
Molecular FormulaC35H30Si
Molecular Weight478.71 g/mol
Exact Mass478.21
IUPAC Nametrimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C35H30Si/c1-36(2,3)29-23-21-26(22-24-29)25-17-19-28(20-18-25)35-32-15-9-7-13-30(32)34(27-11-5-4-6-12-27)31-14-8-10-16-33(31)35/h4-24H,1-3H3
InChIKeyVLZNUNGXRGZSMO-UHFFFAOYSA-N
XLogP9.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.71
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane?
The IUPAC name of trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane (CID 157160990) is trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane is C[Si](C)(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane?
The InChIKey is VLZNUNGXRGZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30Si/c1-36(2,3)29-23-21-26(22-24-29)25-17-19-28(20-18-25)35-32-15-9-7-13-30(32)34(27-11-5-4-6-12-27)31-14-8-10-16-33(31)35/h4-24H,1-3H3.
What are the key properties of trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane?
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane has a molecular weight of 478.71 g/mol, XLogP of 9.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane is sourced from PubChem (CID 157160990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).