14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C82H56N2Si — CID 153440644

IUPAC14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc4cc5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7cc8c(cc76)[Si](c6ccccc6)(c6ccccc6)c6ccccc6-8)ccc5cc4c3)c3ccccc32)cc1
InChIInChI=1S/C82H56N2Si/c1-7-27-61(28-8-1)81(62-29-9-2-10-30-62)71-40-20-23-43-75(71)83(76-44-24-21-41-72(76)81)65-49-47-57-52-60-54-66(50-48-58(60)51-59(57)53-65)84-77-45-25-22-42-73(77)82(63-31-11-3-12-32-63,64-33-13-4-14-34-64)74-55-70-69-39-19-26-46-79(69)85(80(70)56-78(74)84,67-35-15-5-16-36-67)68-37-17-6-18-38-68/h1-56H
InChIKeyIXQLPMBPFSDVTP-UHFFFAOYSA-N
MW1097.45 g/mol
LogP17.68
Rot. Bonds8

About 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153440644) has the molecular formula C82H56N2Si and a molecular weight of 1097.45 g/mol. Its IUPAC name is 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID153440644
Molecular FormulaC82H56N2Si
Molecular Weight1097.45 g/mol
Exact Mass1096.42
IUPAC Name14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc4cc5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7cc8c(cc76)[Si](c6ccccc6)(c6ccccc6)c6ccccc6-8)ccc5cc4c3)c3ccccc32)cc1
InChIInChI=1S/C82H56N2Si/c1-7-27-61(28-8-1)81(62-29-9-2-10-30-62)71-40-20-23-43-75(71)83(76-44-24-21-41-72(76)81)65-49-47-57-52-60-54-66(50-48-58(60)51-59(57)53-65)84-77-45-25-22-42-73(77)82(63-31-11-3-12-32-63,64-33-13-4-14-34-64)74-55-70-69-39-19-26-46-79(69)85(80(70)56-78(74)84,67-35-15-5-16-36-67)68-37-17-6-18-38-68/h1-56H
InChIKeyIXQLPMBPFSDVTP-UHFFFAOYSA-N
XLogP17.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.45
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

14-[6-(9,9-dipyridin-3-ylacridin-10-yl)anthracen-2-yl]-10,10-diphenyl-21,21-dipyridin-3-yl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153440664
14-[6-(10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-2-yl]-10,10-diphenyl-21-pyridin-4-yl-14,21-diaza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 153427012
10-spiro[benzo[b][1]benzosilole-5,5'-naphtho[2,3-b][1]benzosilole]-3'-ylspiro[acridine-9,9'-thioxanthene]
CID 177278326
5,10-diphenyl-10-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)benzo[b][1,4]benzazasiline
CID 140886971
12',12'-dimethyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,5'-tetracene]
CID 177278071
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
2,7,10,10-tetramethyl-5'-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[anthracene-9,12'-benzo[b]acridine]
CID 177278200
10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 177278321
10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]
CID 177278234
7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]
CID 177278340
10-spiro[benzo[b][1]benzosilole-5,11'-naphtho[1,2-b][1]benzosilole]-3-ylspiro[acridine-9,9'-thioxanthene]
CID 177278048
9',9'-dimethyl-10-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177278389

Frequently Asked Questions

What is the IUPAC name of 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153440644) is 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccc4cc5cc(N6c7ccccc7C(c7ccccc7)(c7ccccc7)c7cc8c(cc76)[Si](c6ccccc6)(c6ccccc6)c6ccccc6-8)ccc5cc4c3)c3ccccc32)cc1.
What is the InChIKey of 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is IXQLPMBPFSDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2Si/c1-7-27-61(28-8-1)81(62-29-9-2-10-30-62)71-40-20-23-43-75(71)83(76-44-24-21-41-72(76)81)65-49-47-57-52-60-54-66(50-48-58(60)51-59(57)53-65)84-77-45-25-22-42-73(77)82(63-31-11-3-12-32-63,64-33-13-4-14-34-64)74-55-70-69-39-19-26-46-79(69)85(80(70)56-78(74)84,67-35-15-5-16-36-67)68-37-17-6-18-38-68/h1-56H.
What are the key properties of 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1097.45 g/mol, XLogP of 17.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-(9,9-diphenylacridin-10-yl)anthracen-2-yl]-10,10,21,21-tetraphenyl-14-aza-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 153440644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).