[4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane

C54H35N3O2Si — CID 147153279

IUPAC[4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc4cc(N5c6ccccc6Oc6ccccc65)ccc4c4c3oc3nc5ccccc5nc34)cc2)cc1
InChIInChI=1S/C54H35N3O2Si/c1-4-16-39(17-5-1)60(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-31-28-36(29-32-42)44-35-37-34-38(57-47-24-12-14-26-49(47)58-50-27-15-13-25-48(50)57)30-33-43(37)51-52-54(59-53(44)51)56-46-23-11-10-22-45(46)55-52/h1-35H
InChIKeyBUJZVAXLBOPMBF-UHFFFAOYSA-N
MW785.98 g/mol
LogP11.30
Rot. Bonds6

About [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane

[4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane (PubChem CID 147153279) has the molecular formula C54H35N3O2Si and a molecular weight of 785.98 g/mol. Its IUPAC name is [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name[4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane
PubChem CID147153279
Molecular FormulaC54H35N3O2Si
Molecular Weight785.98 g/mol
Exact Mass785.25
IUPAC Name[4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc4cc(N5c6ccccc6Oc6ccccc65)ccc4c4c3oc3nc5ccccc5nc34)cc2)cc1
InChIInChI=1S/C54H35N3O2Si/c1-4-16-39(17-5-1)60(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-31-28-36(29-32-42)44-35-37-34-38(57-47-24-12-14-26-49(47)58-50-27-15-13-25-48(50)57)30-33-43(37)51-52-54(59-53(44)51)56-46-23-11-10-22-45(46)55-52/h1-35H
InChIKeyBUJZVAXLBOPMBF-UHFFFAOYSA-N
XLogP11.30
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.98
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane with MolForge

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Related Compounds

[4-(8-phenoxazin-10-yl-[1]benzofuro[2,3-b]pyrazin-6-yl)phenyl]-triphenylsilane
CID 153422021
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CID 59219992
10-(2,4-diphenylquinazolin-7-yl)phenoxazine
CID 130396272
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-([1]benzofuro[2,3-b]pyrazin-7-yl)phenoxazine
CID 134351385
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
[3-[4-phenoxazin-10-yl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 153495105

Frequently Asked Questions

What is the IUPAC name of [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane?
The IUPAC name of [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane (CID 147153279) is [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane.
What is the SMILES notation for [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane?
The canonical SMILES for [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc4cc(N5c6ccccc6Oc6ccccc65)ccc4c4c3oc3nc5ccccc5nc34)cc2)cc1.
What is the InChIKey of [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane?
The InChIKey is BUJZVAXLBOPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O2Si/c1-4-16-39(17-5-1)60(40-18-6-2-7-19-40,41-20-8-3-9-21-41)42-31-28-36(29-32-42)44-35-37-34-38(57-47-24-12-14-26-49(47)58-50-27-15-13-25-48(50)57)30-33-43(37)51-52-54(59-53(44)51)56-46-23-11-10-22-45(46)55-52/h1-35H.
What are the key properties of [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane?
[4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane has a molecular weight of 785.98 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-phenoxazin-10-yl-12-oxa-14,21-diazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-10-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 147153279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).