26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione

C32H18N2O3 — CID 164983310

IUPAC26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione
SMILESO=c1c2ccccc2n2c3ccccc3c(=O)c3c4c(cc1c32)N(c1ccccc1)c1ccccc1O4
InChIInChI=1S/C32H18N2O3/c35-30-20-12-4-6-14-23(20)34-24-15-7-5-13-21(24)31(36)28-29(34)22(30)18-26-32(28)37-27-17-9-8-16-25(27)33(26)19-10-2-1-3-11-19/h1-18H
InChIKeyXWBXTYHRVOECDJ-UHFFFAOYSA-N
MW478.51 g/mol
LogP7.13
Rot. Bonds1

About 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione

26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione (PubChem CID 164983310) has the molecular formula C32H18N2O3 and a molecular weight of 478.51 g/mol. Its IUPAC name is 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione.

Molecular Properties

Compound Name26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione
PubChem CID164983310
Molecular FormulaC32H18N2O3
Molecular Weight478.51 g/mol
Exact Mass478.13
IUPAC Name26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione
SMILESO=c1c2ccccc2n2c3ccccc3c(=O)c3c4c(cc1c32)N(c1ccccc1)c1ccccc1O4
InChIInChI=1S/C32H18N2O3/c35-30-20-12-4-6-14-23(20)34-24-15-7-5-13-21(24)31(36)28-29(34)22(30)18-26-32(28)37-27-17-9-8-16-25(27)33(26)19-10-2-1-3-11-19/h1-18H
InChIKeyXWBXTYHRVOECDJ-UHFFFAOYSA-N
XLogP7.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione with MolForge

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Related Compounds

13,13-dimethyl-6-phenyl-1,6-diazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5(14),7,9,11,17,19,21(29),23,25,27-dodecaene-16,22-dione
CID 165019954
26-phenyl-19-[2,4,6-tri(propan-2-yl)phenyl]-9,26-diaza-19-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione;19-[2,4,6-tri(propan-2-yl)phenyl]-26-oxa-9-aza-19-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione;19-[2,4,6-tri(propan-2-yl)phenyl]-26-thia-9-aza-19-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione
CID 165037362
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CID 123756019
19-(2,6-dimethylphenyl)-6-phenyl-13-thia-1,6-diazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5(14),7,9,11,17,19,21(29),23,25,27-dodecaene-16,22-dione
CID 165053587
2-bromo-4-chloro-10-phenylphenoxazine
CID 177083951
11-fluoro-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,14-dione
CID 163712708
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
12-[4-(10-phenylphenazin-5-yl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118442312
9-(4-carbazol-9-ylphenyl)-3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]acridin-9-one;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
CID 161300405
21-carbazol-9-yl-25-phenyl-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 134559977
10,16,30,36-tetraphenyl-10,16,26,30,36-pentaza-3,43-diboratridecacyclo[24.20.1.13,11.131,35.02,17.04,9.019,47.020,25.027,46.029,44.037,42.015,49.043,48]nonatetraconta-1(47),2(17),4,6,8,11(49),12,14,18,20,22,24,27(46),28,31,33,35(48),37,39,41,44-henicosaene
CID 167377997
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
CID 164765277

Frequently Asked Questions

What is the IUPAC name of 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione?
The IUPAC name of 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione (CID 164983310) is 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione.
What is the SMILES notation for 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione?
The canonical SMILES for 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione is O=c1c2ccccc2n2c3ccccc3c(=O)c3c4c(cc1c32)N(c1ccccc1)c1ccccc1O4.
What is the InChIKey of 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione?
The InChIKey is XWBXTYHRVOECDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N2O3/c35-30-20-12-4-6-14-23(20)34-24-15-7-5-13-21(24)31(36)28-29(34)22(30)18-26-32(28)37-27-17-9-8-16-25(27)33(26)19-10-2-1-3-11-19/h1-18H.
What are the key properties of 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione?
26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione has a molecular weight of 478.51 g/mol, XLogP of 7.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione is sourced from PubChem (CID 164983310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).