14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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

C70H44N6O2Si2 — CID 153427073

IUPAC14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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
SMILESc1cncc([Si]2(c3cccnc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7Oc7cc8c(cc76)[Si](c6cccnc6)(c6cccnc6)c6ccccc6-8)ccc5cc3c2)c2ccccc2O4)c1
InChIInChI=1S/C70H44N6O2Si2/c1-7-23-67-55(17-1)57-37-65-61(39-69(57)79(67,51-13-9-29-71-41-51)52-14-10-30-72-42-52)75(59-19-3-5-21-63(59)77-65)49-27-25-45-34-48-36-50(28-26-46(48)33-47(45)35-49)76-60-20-4-6-22-64(60)78-66-38-58-56-18-2-8-24-68(56)80(70(58)40-62(66)76,53-15-11-31-73-43-53)54-16-12-32-74-44-54/h1-44H
InChIKeyQBRCOUFLYRZSFL-UHFFFAOYSA-N
MW1057.33 g/mol
LogP11.44
Rot. Bonds6

About 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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 153427073) has the molecular formula C70H44N6O2Si2 and a molecular weight of 1057.33 g/mol. Its IUPAC name is 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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 CID153427073
Molecular FormulaC70H44N6O2Si2
Molecular Weight1057.33 g/mol
Exact Mass1056.31
IUPAC Name14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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
SMILESc1cncc([Si]2(c3cccnc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7Oc7cc8c(cc76)[Si](c6cccnc6)(c6cccnc6)c6ccccc6-8)ccc5cc3c2)c2ccccc2O4)c1
InChIInChI=1S/C70H44N6O2Si2/c1-7-23-67-55(17-1)57-37-65-61(39-69(57)79(67,51-13-9-29-71-41-51)52-14-10-30-72-42-52)75(59-19-3-5-21-63(59)77-65)49-27-25-45-34-48-36-50(28-26-46(48)33-47(45)35-49)76-60-20-4-6-22-64(60)78-66-38-58-56-18-2-8-24-68(56)80(70(58)40-62(66)76,53-15-11-31-73-43-53)54-16-12-32-74-44-54/h1-44H
InChIKeyQBRCOUFLYRZSFL-UHFFFAOYSA-N
XLogP11.44
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001057.33
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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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Frequently Asked Questions

What is the IUPAC name of 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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 153427073) is 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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 c1cncc([Si]2(c3cccnc3)c3ccccc3-c3cc4c(cc32)N(c2ccc3cc5cc(N6c7ccccc7Oc7cc8c(cc76)[Si](c6cccnc6)(c6cccnc6)c6ccccc6-8)ccc5cc3c2)c2ccccc2O4)c1.
What is the InChIKey of 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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 QBRCOUFLYRZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N6O2Si2/c1-7-23-67-55(17-1)57-37-65-61(39-69(57)79(67,51-13-9-29-71-41-51)52-14-10-30-72-42-52)75(59-19-3-5-21-63(59)77-65)49-27-25-45-34-48-36-50(28-26-46(48)33-47(45)35-49)76-60-20-4-6-22-64(60)78-66-38-58-56-18-2-8-24-68(56)80(70(58)40-62(66)76,53-15-11-31-73-43-53)54-16-12-32-74-44-54/h1-44H.
What are the key properties of 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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 1057.33 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[6-(10,10-dipyridin-3-yl-21-oxa-14-aza-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)anthracen-2-yl]-10,10-dipyridin-3-yl-21-oxa-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 153427073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).