10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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

C52H32N2O4 — CID 153179287

IUPAC10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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
SMILESCc1c(C)c2c3cc4ccc(N5c6ccccc6Oc6ccccc65)cc4cc3oc2c2c1oc1cc3cc(N4c5ccccc5Oc5ccccc54)ccc3cc12
InChIInChI=1S/C52H32N2O4/c1-29-30(2)51-50(38-26-32-20-22-36(24-34(32)28-48(38)57-51)54-41-13-5-9-17-45(41)56-46-18-10-6-14-42(46)54)52-49(29)37-25-31-19-21-35(23-33(31)27-47(37)58-52)53-39-11-3-7-15-43(39)55-44-16-8-4-12-40(44)53/h3-28H,1-2H3
InChIKeyWFVJIUZUKZEKNZ-UHFFFAOYSA-N
MW748.84 g/mol
LogP15.56
Rot. Bonds2

About 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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 153179287) has the molecular formula C52H32N2O4 and a molecular weight of 748.84 g/mol. Its IUPAC name is 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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 CID153179287
Molecular FormulaC52H32N2O4
Molecular Weight748.84 g/mol
Exact Mass748.24
IUPAC Name10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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
SMILESCc1c(C)c2c3cc4ccc(N5c6ccccc6Oc6ccccc65)cc4cc3oc2c2c1oc1cc3cc(N4c5ccccc5Oc5ccccc54)ccc3cc12
InChIInChI=1S/C52H32N2O4/c1-29-30(2)51-50(38-26-32-20-22-36(24-34(32)28-48(38)57-51)54-41-13-5-9-17-45(41)56-46-18-10-6-14-42(46)54)52-49(29)37-25-31-19-21-35(23-33(31)27-47(37)58-52)53-39-11-3-7-15-43(39)55-44-16-8-4-12-40(44)53/h3-28H,1-2H3
InChIKeyWFVJIUZUKZEKNZ-UHFFFAOYSA-N
XLogP15.56
TPSA51.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.84
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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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Related Compounds

10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[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]-9,9-dimethylacridine
CID 149218096
2,16-dimethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 126657797
2,16-dimethyl-9-N,9-N,23-N,23-N-tetraphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155361604
10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 142744128
2,16-dimethyl-9-N,23-N-bis(3-methylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360712
2,16-dimethyl-9-N,23-N-bis(4-methylphenyl)-9-N,23-N-diphenyl-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 155362157
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-naphthalen-2-ylphenoxazin-3-amine
CID 164811782
8-N,23-N-bis(2,6-dimethylphenyl)-15,16-dimethyl-8-N,23-N-diphenyl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
CID 155362989
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
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765311

Frequently Asked Questions

What is the IUPAC name of 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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 153179287) is 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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 Cc1c(C)c2c3cc4ccc(N5c6ccccc6Oc6ccccc65)cc4cc3oc2c2c1oc1cc3cc(N4c5ccccc5Oc5ccccc54)ccc3cc12.
What is the InChIKey of 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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 WFVJIUZUKZEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O4/c1-29-30(2)51-50(38-26-32-20-22-36(24-34(32)28-48(38)57-51)54-41-13-5-9-17-45(41)56-46-18-10-6-14-42(46)54)52-49(29)37-25-31-19-21-35(23-33(31)27-47(37)58-52)53-39-11-3-7-15-43(39)55-44-16-8-4-12-40(44)53/h3-28H,1-2H3.
What are the key properties of 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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 748.84 g/mol, XLogP of 15.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(15,16-dimethyl-8-phenoxazin-10-yl-13,28-dioxaheptacyclo[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 153179287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).