10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine

C56H48N2Si — CID 153320402

IUPAC10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2ccc3c(c2)-c2cc(-c4ccccc4N4c5ccccc5C(C)(C)c5ccccc54)ccc2[Si]3(C)C)c2ccccc21
InChIInChI=1S/C56H48N2Si/c1-55(2)43-21-9-15-27-49(43)57(50-28-16-10-22-44(50)55)47-25-13-7-19-39(47)37-31-33-53-41(35-37)42-36-38(32-34-54(42)59(53,5)6)40-20-8-14-26-48(40)58-51-29-17-11-23-45(51)56(3,4)46-24-12-18-30-52(46)58/h7-36H,1-6H3
InChIKeyVEMJXCOREYJDEJ-UHFFFAOYSA-N
MW777.10 g/mol
LogP14.04
Rot. Bonds4

About 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine

10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine (PubChem CID 153320402) has the molecular formula C56H48N2Si and a molecular weight of 777.10 g/mol. Its IUPAC name is 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
PubChem CID153320402
Molecular FormulaC56H48N2Si
Molecular Weight777.10 g/mol
Exact Mass776.36
IUPAC Name10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccccc2-c2ccc3c(c2)-c2cc(-c4ccccc4N4c5ccccc5C(C)(C)c5ccccc54)ccc2[Si]3(C)C)c2ccccc21
InChIInChI=1S/C56H48N2Si/c1-55(2)43-21-9-15-27-49(43)57(50-28-16-10-22-44(50)55)47-25-13-7-19-39(47)37-31-33-53-41(35-37)42-36-38(32-34-54(42)59(53,5)6)40-20-8-14-26-48(40)58-51-29-17-11-23-45(51)56(3,4)46-24-12-18-30-52(46)58/h7-36H,1-6H3
InChIKeyVEMJXCOREYJDEJ-UHFFFAOYSA-N
XLogP14.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.10
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
10-[20-(9,9-dimethylacridin-10-yl)-12,12-dimethyl-12-silapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-9,9-dimethylacridine
CID 145010399
5-[3-[2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146543342
3-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194817
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[2-(9,9-dimethylacridin-10-yl)-5,5-bis(2,3,4,5,6-pentafluorophenyl)benzo[b][1]benzosilol-8-yl]-9,9-dimethylacridine
CID 145010410
9,9,27,27-tetramethyl-17-phenyl-2,20-diaza-9-sila-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene
CID 174014887
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
10-[2-[3-[2-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-5-phenylphenyl]phenyl]-9,9-dimethylacridine
CID 169287507
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
9',9'-dimethyl-10-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177278389
10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
CID 70936023

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine (CID 153320402) is 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccccc2-c2ccc3c(c2)-c2cc(-c4ccccc4N4c5ccccc5C(C)(C)c5ccccc54)ccc2[Si]3(C)C)c2ccccc21.
What is the InChIKey of 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is VEMJXCOREYJDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2Si/c1-55(2)43-21-9-15-27-49(43)57(50-28-16-10-22-44(50)55)47-25-13-7-19-39(47)37-31-33-53-41(35-37)42-36-38(32-34-54(42)59(53,5)6)40-20-8-14-26-48(40)58-51-29-17-11-23-45(51)56(3,4)46-24-12-18-30-52(46)58/h7-36H,1-6H3.
What are the key properties of 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine?
10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 777.10 g/mol, XLogP of 14.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 153320402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).