12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene

C62H36N4O3 — CID 146213059

IUPAC12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene
SMILESc1cncc(-c2c3ccc(N4c5ccccc5Oc5cc6c(cc54)oc4cc5cc7ccccc7cc5cc46)cc3c(-c3cccnc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c1
InChIInChI=1S/C62H36N4O3/c1-2-12-38-28-42-30-58-47(29-41(42)27-37(38)11-1)48-33-60-54(34-59(48)69-58)66(53-17-5-8-20-57(53)68-60)44-22-24-46-50(32-44)62(40-14-10-26-64-36-40)45-23-21-43(31-49(45)61(46)39-13-9-25-63-35-39)65-51-15-3-6-18-55(51)67-56-19-7-4-16-52(56)65/h1-36H
InChIKeyQCEHVGMKOLCGLN-UHFFFAOYSA-N
MW885.00 g/mol
LogP17.47
Rot. Bonds4

About 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene

12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene (PubChem CID 146213059) has the molecular formula C62H36N4O3 and a molecular weight of 885.00 g/mol. Its IUPAC name is 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene
PubChem CID146213059
Molecular FormulaC62H36N4O3
Molecular Weight885.00 g/mol
Exact Mass884.28
IUPAC Name12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene
SMILESc1cncc(-c2c3ccc(N4c5ccccc5Oc5cc6c(cc54)oc4cc5cc7ccccc7cc5cc46)cc3c(-c3cccnc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c1
InChIInChI=1S/C62H36N4O3/c1-2-12-38-28-42-30-58-47(29-41(42)27-37(38)11-1)48-33-60-54(34-59(48)69-58)66(53-17-5-8-20-57(53)68-60)44-22-24-46-50(32-44)62(40-14-10-26-64-36-40)45-23-21-43(31-49(45)61(46)39-13-9-25-63-35-39)65-51-15-3-6-18-55(51)67-56-19-7-4-16-52(56)65/h1-36H
InChIKeyQCEHVGMKOLCGLN-UHFFFAOYSA-N
XLogP17.47
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.00
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
8,14,22-tris(naphtho[2,3-b][1]benzofuran-2-yl)-8,14,22-triaza-1-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849216
14-[7-(10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10,21-dioxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;21-phenyl-14-[6-(21-phenyl-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)pyren-1-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 161443856
N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
CID 164811782
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744

Frequently Asked Questions

What is the IUPAC name of 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene?
The IUPAC name of 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene (CID 146213059) is 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene?
The canonical SMILES for 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene is c1cncc(-c2c3ccc(N4c5ccccc5Oc5cc6c(cc54)oc4cc5cc7ccccc7cc5cc46)cc3c(-c3cccnc3)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c1.
What is the InChIKey of 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene?
The InChIKey is QCEHVGMKOLCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4O3/c1-2-12-38-28-42-30-58-47(29-41(42)27-37(38)11-1)48-33-60-54(34-59(48)69-58)66(53-17-5-8-20-57(53)68-60)44-22-24-46-50(32-44)62(40-14-10-26-64-36-40)45-23-21-43(31-49(45)61(46)39-13-9-25-63-35-39)65-51-15-3-6-18-55(51)67-56-19-7-4-16-52(56)65/h1-36H.
What are the key properties of 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene?
12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene has a molecular weight of 885.00 g/mol, XLogP of 17.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(6-phenoxazin-10-yl-9,10-dipyridin-3-ylanthracen-2-yl)-5,16-dioxa-12-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6,8,10,14,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 146213059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).