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

C50H34N2O2 — CID 144604260

IUPAC6-(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
SMILESCC.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c4ccc32)cc1
InChIInChI=1S/C48H28N2O2.C2H6/c1-2-10-31(11-3-1)49-39-15-7-4-13-36(39)45-41(49)25-23-34-35-24-26-42-46(48(35)52-47(34)45)37-14-5-8-16-40(37)50(42)32-21-18-29(19-22-32)30-20-27-44-38(28-30)33-12-6-9-17-43(33)51-44;1-2/h1-28H;1-2H3
InChIKeyAPXWKQBILSIGJP-UHFFFAOYSA-N
MW694.83 g/mol
LogP14.37
Rot. Bonds3

About 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

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 (PubChem CID 144604260) has the molecular formula C50H34N2O2 and a molecular weight of 694.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID144604260
Molecular FormulaC50H34N2O2
Molecular Weight694.83 g/mol
Exact Mass694.26
IUPAC Name6-(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
SMILESCC.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c4ccc32)cc1
InChIInChI=1S/C48H28N2O2.C2H6/c1-2-10-31(11-3-1)49-39-15-7-4-13-36(39)45-41(49)25-23-34-35-24-26-42-46(48(35)52-47(34)45)37-14-5-8-16-40(37)50(42)32-21-18-29(19-22-32)30-20-27-44-38(28-30)33-12-6-9-17-43(33)51-44;1-2/h1-28H;1-2H3
InChIKeyAPXWKQBILSIGJP-UHFFFAOYSA-N
XLogP14.37
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.83
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
5-phenyl-3-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
CID 134223386
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-6-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-9-phenylcarbazole
CID 142487806
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c4ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is APXWKQBILSIGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2.C2H6/c1-2-10-31(11-3-1)49-39-15-7-4-13-36(39)45-41(49)25-23-34-35-24-26-42-46(48(35)52-47(34)45)37-14-5-8-16-40(37)50(42)32-21-18-29(19-22-32)30-20-27-44-38(28-30)33-12-6-9-17-43(33)51-44;1-2/h1-28H;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 694.83 g/mol, XLogP of 14.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144604260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).