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

C78H52N6Si — CID 153440664

IUPAC14-[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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7C(c7cccnc7)(c7cccnc7)c7ccccc76)ccc5cc3c2)c2ccccc2C4(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C78H52N6Si/c1-3-23-63(24-4-1)85(64-25-5-2-6-26-64)75-34-14-7-27-65(75)66-47-70-74(48-76(66)85)84(73-33-13-10-30-69(73)78(70,59-21-17-41-81-51-59)60-22-18-42-82-52-60)62-38-36-54-43-55-45-61(37-35-53(55)44-56(54)46-62)83-71-31-11-8-28-67(71)77(57-19-15-39-79-49-57,58-20-16-40-80-50-58)68-29-9-12-32-72(68)83/h1-52H
InChIKeyJSCOVLRNVDDIIN-UHFFFAOYSA-N
MW1101.40 g/mol
LogP15.26
Rot. Bonds8

About 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

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 (PubChem CID 153440664) has the molecular formula C78H52N6Si and a molecular weight of 1101.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-[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
PubChem CID153440664
Molecular FormulaC78H52N6Si
Molecular Weight1101.40 g/mol
Exact Mass1100.40
IUPAC Name14-[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
SMILESc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7C(c7cccnc7)(c7cccnc7)c7ccccc76)ccc5cc3c2)c2ccccc2C4(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C78H52N6Si/c1-3-23-63(24-4-1)85(64-25-5-2-6-26-64)75-34-14-7-27-65(75)66-47-70-74(48-76(66)85)84(73-33-13-10-30-69(73)78(70,59-21-17-41-81-51-59)60-22-18-42-82-52-60)62-38-36-54-43-55-45-61(37-35-53(55)44-56(54)46-62)83-71-31-11-8-28-67(71)77(57-19-15-39-79-49-57,58-20-16-40-80-50-58)68-29-9-12-32-72(68)83/h1-52H
InChIKeyJSCOVLRNVDDIIN-UHFFFAOYSA-N
XLogP15.26
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.40
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-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 with MolForge

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Related Compounds

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
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
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7C(c7cccnc7)(c7cccnc7)c7ccccc76)ccc5cc3c2)c2ccccc2C4(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of 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?
The InChIKey is JSCOVLRNVDDIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N6Si/c1-3-23-63(24-4-1)85(64-25-5-2-6-26-64)75-34-14-7-27-65(75)66-47-70-74(48-76(66)85)84(73-33-13-10-30-69(73)78(70,59-21-17-41-81-51-59)60-22-18-42-82-52-60)62-38-36-54-43-55-45-61(37-35-53(55)44-56(54)46-62)83-71-31-11-8-28-67(71)77(57-19-15-39-79-49-57,58-20-16-40-80-50-58)68-29-9-12-32-72(68)83/h1-52H.
What are the key properties of 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?
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 has a molecular weight of 1101.40 g/mol, XLogP of 15.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153440664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).