6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene

C36H22N2O2 — CID 163503862

IUPAC6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene
SMILESC1=CC2Nc3ccccc3C2c2oc3c(ccc4c3c3ccccc3n4-c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C36H22N2O2/c1-4-10-27-24(8-1)33-28(37-27)16-14-22-23-15-17-30-34(36(23)40-35(22)33)25-9-2-5-11-29(25)38(30)20-13-18-32-26(19-20)21-7-3-6-12-31(21)39-32/h1-19,28,33,37H
InChIKeyCWYHFHSYGJNPKX-UHFFFAOYSA-N
MW514.58 g/mol
LogP9.38
Rot. Bonds1

About 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene

6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene (PubChem CID 163503862) has the molecular formula C36H22N2O2 and a molecular weight of 514.58 g/mol. Its IUPAC name is 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene.

Molecular Properties

Compound Name6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene
PubChem CID163503862
Molecular FormulaC36H22N2O2
Molecular Weight514.58 g/mol
Exact Mass514.17
IUPAC Name6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene
SMILESC1=CC2Nc3ccccc3C2c2oc3c(ccc4c3c3ccccc3n4-c3ccc4oc5ccccc5c4c3)c21
InChIInChI=1S/C36H22N2O2/c1-4-10-27-24(8-1)33-28(37-27)16-14-22-23-15-17-30-34(36(23)40-35(22)33)25-9-2-5-11-29(25)38(30)20-13-18-32-26(19-20)21-7-3-6-12-31(21)39-32/h1-19,28,33,37H
InChIKeyCWYHFHSYGJNPKX-UHFFFAOYSA-N
XLogP9.38
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 59.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene with MolForge

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Related Compounds

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CID 166003071
6-dibenzofuran-2-yl-24-(5,6-dihydronaphthalen-1-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604354
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
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N,N-diphenyl-8-[24-[8-(N-phenylanilino)dibenzofuran-2-yl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]dibenzofuran-2-amine
CID 118651781
9-dibenzofuran-2-yl-4-methylcarbazole
CID 134235790
6-(4-dibenzofuran-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604260
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
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CID 90324769
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
6,24-di(dibenzofuran-2-yl)-10,20-di(dibenzofuran-4-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
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9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961355

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene?
The IUPAC name of 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene (CID 163503862) is 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene.
What is the SMILES notation for 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene?
The canonical SMILES for 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene is C1=CC2Nc3ccccc3C2c2oc3c(ccc4c3c3ccccc3n4-c3ccc4oc5ccccc5c4c3)c21.
What is the InChIKey of 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene?
The InChIKey is CWYHFHSYGJNPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O2/c1-4-10-27-24(8-1)33-28(37-27)16-14-22-23-15-17-30-34(36(23)40-35(22)33)25-9-2-5-11-29(25)38(30)20-13-18-32-26(19-20)21-7-3-6-12-31(21)39-32/h1-19,28,33,37H.
What are the key properties of 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene?
6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene has a molecular weight of 514.58 g/mol, XLogP of 9.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,18,20,22,26-undecaene is sourced from PubChem (CID 163503862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).