6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene

C36H20O2 — CID 118655954

IUPAC6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1c(ccc3oc4ccccc4c13)-c1ccc3oc4ccccc4c3c1-2
InChIInChI=1S/C36H20O2/c1-3-11-23-21(9-1)22-10-2-4-12-24(22)34-26(18-20-32-36(34)28-14-6-8-16-30(28)38-32)25-17-19-31-35(33(23)25)27-13-5-7-15-29(27)37-31/h1-20H/b22-21-,26-25-,33-23+,34-24+
InChIKeyZSAKNIZZNYSBLW-YJOOHSJJSA-N
MW484.55 g/mol
LogP10.47
Rot. Bonds

About 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene

6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene (PubChem CID 118655954) has the molecular formula C36H20O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene.

Molecular Properties

Compound Name6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
PubChem CID118655954
Molecular FormulaC36H20O2
Molecular Weight484.55 g/mol
Exact Mass484.15
IUPAC Name6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1c(ccc3oc4ccccc4c13)-c1ccc3oc4ccccc4c3c1-2
InChIInChI=1S/C36H20O2/c1-3-11-23-21(9-1)22-10-2-4-12-24(22)34-26(18-20-32-36(34)28-14-6-8-16-30(28)38-32)25-17-19-31-35(33(23)25)27-13-5-7-15-29(27)37-31/h1-20H/b22-21-,26-25-,33-23+,34-24+
InChIKeyZSAKNIZZNYSBLW-YJOOHSJJSA-N
XLogP10.47
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.55
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene with MolForge

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Related Compounds

16,25-dimethyl-17,24-bis(2-methylphenyl)-6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15(20),16,18,21(26),22,24,28(36),29,31,33,37-octadecaene
CID 146383205
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
1-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)-2-(2-phenylphenyl)dibenzofuran
CID 165169779
4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481521
1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
CID 165169897
2-phenyl-1-(6-phenylpyren-1-yl)dibenzofuran
CID 170658120
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
1-[10-(2-pyren-1-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454341
N-(3,4-diphenylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281275
2-phenyl-1-(3-phenyl-2-benzofuran-1-yl)dibenzofuran
CID 156552811
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
CID 138481415
2-dibenzofuran-3-yl-1-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran;2-phenyl-1-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 158553667

Frequently Asked Questions

What is the IUPAC name of 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene?
The IUPAC name of 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene (CID 118655954) is 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene.
What is the SMILES notation for 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene?
The canonical SMILES for 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene is c1ccc2c(c1)-c1ccccc1-c1c(ccc3oc4ccccc4c13)-c1ccc3oc4ccccc4c3c1-2.
What is the InChIKey of 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene?
The InChIKey is ZSAKNIZZNYSBLW-YJOOHSJJSA-N. The full InChI is InChI=1S/C36H20O2/c1-3-11-23-21(9-1)22-10-2-4-12-24(22)34-26(18-20-32-36(34)28-14-6-8-16-30(28)38-32)25-17-19-31-35(33(23)25)27-13-5-7-15-29(27)37-31/h1-20H/b22-21-,26-25-,33-23+,34-24+.
What are the key properties of 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene?
6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene has a molecular weight of 484.55 g/mol, XLogP of 10.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene is sourced from PubChem (CID 118655954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).