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

C52H44N2Si — CID 145010399

IUPAC10-[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
SMILESCC1(C)c2ccccc2N(c2cc3c(c4ccccc24)[Si](C)(C)c2c-3cc(N3c4ccccc4C(C)(C)c4ccccc43)c3ccccc23)c2ccccc21
InChIInChI=1S/C52H44N2Si/c1-51(2)39-23-11-15-27-43(39)53(44-28-16-12-24-40(44)51)47-31-37-38-32-48(54-45-29-17-13-25-41(45)52(3,4)42-26-14-18-30-46(42)54)34-20-8-10-22-36(34)50(38)55(5,6)49(37)35-21-9-7-19-33(35)47/h7-32H,1-6H3
InChIKeyMLHHJCYNMVSQML-UHFFFAOYSA-N
MW725.02 g/mol
LogP13.01
Rot. Bonds2

About 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

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 (PubChem CID 145010399) has the molecular formula C52H44N2Si and a molecular weight of 725.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID145010399
Molecular FormulaC52H44N2Si
Molecular Weight725.02 g/mol
Exact Mass724.33
IUPAC Name10-[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
SMILESCC1(C)c2ccccc2N(c2cc3c(c4ccccc24)[Si](C)(C)c2c-3cc(N3c4ccccc4C(C)(C)c4ccccc43)c3ccccc23)c2ccccc21
InChIInChI=1S/C52H44N2Si/c1-51(2)39-23-11-15-27-43(39)53(44-28-16-12-24-40(44)51)47-31-37-38-32-48(54-45-29-17-13-25-41(45)52(3,4)42-26-14-18-30-46(42)54)34-20-8-10-22-36(34)50(38)55(5,6)49(37)35-21-9-7-19-33(35)47/h7-32H,1-6H3
InChIKeyMLHHJCYNMVSQML-UHFFFAOYSA-N
XLogP13.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.02
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

10,10,14,14-tetramethyl-21-[5-(10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-21-yl)naphthalen-1-yl]-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459631
4-(9,9-dimethylacridin-10-yl)naphthalen-1-amine
CID 144936396
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
10-[2-[2-[2-(9,9-dimethylacridin-10-yl)phenyl]-5,5-dimethylbenzo[b][1]benzosilol-8-yl]phenyl]-9,9-dimethylacridine
CID 153320402
9,9,10-trimethylacridine
CID 610451
10-[8-(9,9-dimethylacridin-10-yl)quinoxalin-5-yl]-9,9-dimethylacridine
CID 121327146
10-[2-[7-[2-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylacridine
CID 130438692
14-[5-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459758
10-fluoranthen-3-yl-2-(10-fluoranthen-3-yl-9,9-dimethylacridin-2-yl)-9,9-dimethylacridine
CID 70936023
10-[6-(9,9-dimethylacridin-10-yl)pyren-1-yl]-9,9-dimethylacridine
CID 58489773
10-[3,5-bis(9,9-dimethylacridin-10-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]-9,9-dimethylacridine
CID 135130813
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2cc3c(c4ccccc24)[Si](C)(C)c2c-3cc(N3c4ccccc4C(C)(C)c4ccccc43)c3ccccc23)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is MLHHJCYNMVSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2Si/c1-51(2)39-23-11-15-27-43(39)53(44-28-16-12-24-40(44)51)47-31-37-38-32-48(54-45-29-17-13-25-41(45)52(3,4)42-26-14-18-30-46(42)54)34-20-8-10-22-36(34)50(38)55(5,6)49(37)35-21-9-7-19-33(35)47/h7-32H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 725.02 g/mol, XLogP of 13.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145010399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).