10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine

C50H28N2O3S — CID 155359670

IUPAC10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2cc3c(cc2c1)oc1ccc2c4cc5ccc(N6c7ccccc7Oc7ccccc76)cc5cc4sc2c13
InChIInChI=1S/C50H28N2O3S/c1-5-13-42-38(9-1)51(39-10-2-6-14-43(39)53-42)33-20-18-30-26-37-47(27-31(30)23-33)55-46-22-21-35-36-25-29-17-19-34(24-32(29)28-48(36)56-50(35)49(37)46)52-40-11-3-7-15-44(40)54-45-16-8-4-12-41(45)52/h1-28H
InChIKeyYWLBNRPGCTXJCK-UHFFFAOYSA-N
MW736.85 g/mol
LogP15.41
Rot. Bonds2

About 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine

10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine (PubChem CID 155359670) has the molecular formula C50H28N2O3S and a molecular weight of 736.85 g/mol. Its IUPAC name is 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine.

Molecular Properties

Compound Name10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine
PubChem CID155359670
Molecular FormulaC50H28N2O3S
Molecular Weight736.85 g/mol
Exact Mass736.18
IUPAC Name10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2cc3c(cc2c1)oc1ccc2c4cc5ccc(N6c7ccccc7Oc7ccccc76)cc5cc4sc2c13
InChIInChI=1S/C50H28N2O3S/c1-5-13-42-38(9-1)51(39-10-2-6-14-43(39)53-42)33-20-18-30-26-37-47(27-31(30)23-33)55-46-22-21-35-36-25-29-17-19-34(24-32(29)28-48(36)56-50(35)49(37)46)52-40-11-3-7-15-44(40)54-45-16-8-4-12-41(45)52/h1-28H
InChIKeyYWLBNRPGCTXJCK-UHFFFAOYSA-N
XLogP15.41
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.85
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine?
The IUPAC name of 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine (CID 155359670) is 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine.
What is the SMILES notation for 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine?
The canonical SMILES for 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2cc3c(cc2c1)oc1ccc2c4cc5ccc(N6c7ccccc7Oc7ccccc76)cc5cc4sc2c13.
What is the InChIKey of 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine?
The InChIKey is YWLBNRPGCTXJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N2O3S/c1-5-13-42-38(9-1)51(39-10-2-6-14-43(39)53-42)33-20-18-30-26-37-47(27-31(30)23-33)55-46-22-21-35-36-25-29-17-19-34(24-32(29)28-48(36)56-50(35)49(37)46)52-40-11-3-7-15-44(40)54-45-16-8-4-12-41(45)52/h1-28H.
What are the key properties of 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine?
10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine has a molecular weight of 736.85 g/mol, XLogP of 15.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-phenoxazin-10-yl-13-oxa-28-thiaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl)phenoxazine is sourced from PubChem (CID 155359670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).