14-(6-phenoxazin-10-ylanthracen-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

C54H34N4O2Si — CID 153440649

IUPAC14-(6-phenoxazin-10-ylanthracen-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(N6c7ccccc7Oc7ccccc76)ccc5cc3c2)c2ccccc2O4)c1
InChIInChI=1S/C54H34N4O2Si/c1-8-20-53-43(13-1)44-31-52-48(32-54(44)61(53,41-11-9-25-55-33-41)42-12-10-26-56-34-42)58(47-16-4-7-19-51(47)60-52)40-24-22-36-27-37-29-39(23-21-35(37)28-38(36)30-40)57-45-14-2-5-17-49(45)59-50-18-6-3-15-46(50)57/h1-34H
InChIKeyGTCWLWAURXGBCV-UHFFFAOYSA-N
MW798.98 g/mol
LogP11.29
Rot. Bonds4

About 14-(6-phenoxazin-10-ylanthracen-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-phenoxazin-10-ylanthracen-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 153440649) has the molecular formula C54H34N4O2Si and a molecular weight of 798.98 g/mol. Its IUPAC name is 14-(6-phenoxazin-10-ylanthracen-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-phenoxazin-10-ylanthracen-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 CID153440649
Molecular FormulaC54H34N4O2Si
Molecular Weight798.98 g/mol
Exact Mass798.25
IUPAC Name14-(6-phenoxazin-10-ylanthracen-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(N6c7ccccc7Oc7ccccc76)ccc5cc3c2)c2ccccc2O4)c1
InChIInChI=1S/C54H34N4O2Si/c1-8-20-53-43(13-1)44-31-52-48(32-54(44)61(53,41-11-9-25-55-33-41)42-12-10-26-56-34-42)58(47-16-4-7-19-51(47)60-52)40-24-22-36-27-37-29-39(23-21-35(37)28-38(36)30-40)57-45-14-2-5-17-49(45)59-50-18-6-3-15-46(50)57/h1-34H
InChIKeyGTCWLWAURXGBCV-UHFFFAOYSA-N
XLogP11.29
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.98
LogP ≤ 511.29
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-phenoxazin-10-ylanthracen-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-phenoxazin-10-ylanthracen-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-phenoxazin-10-ylanthracen-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 153440649) is 14-(6-phenoxazin-10-ylanthracen-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-phenoxazin-10-ylanthracen-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-phenoxazin-10-ylanthracen-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(N6c7ccccc7Oc7ccccc76)ccc5cc3c2)c2ccccc2O4)c1.
What is the InChIKey of 14-(6-phenoxazin-10-ylanthracen-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 GTCWLWAURXGBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O2Si/c1-8-20-53-43(13-1)44-31-52-48(32-54(44)61(53,41-11-9-25-55-33-41)42-12-10-26-56-34-42)58(47-16-4-7-19-51(47)60-52)40-24-22-36-27-37-29-39(23-21-35(37)28-38(36)30-40)57-45-14-2-5-17-49(45)59-50-18-6-3-15-46(50)57/h1-34H.
What are the key properties of 14-(6-phenoxazin-10-ylanthracen-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-phenoxazin-10-ylanthracen-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 798.98 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(6-phenoxazin-10-ylanthracen-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 153440649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).