6-(3-dibenzofuran-4-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;prop-1-ene

C51H34N2O2 — CID 144604324

IUPAC6-(3-dibenzofuran-4-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;prop-1-ene
SMILESC=CC.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4ccc32)cc1
InChIInChI=1S/C48H28N2O2.C3H6/c1-2-13-30(14-3-1)49-39-21-7-4-17-37(39)44-41(49)26-24-35-36-25-27-42-45(48(36)52-47(35)44)38-18-5-8-22-40(38)50(42)31-15-10-12-29(28-31)32-19-11-20-34-33-16-6-9-23-43(33)51-46(32)34;1-3-2/h1-28H;3H,1H2,2H3
InChIKeyVNZWGBKTXLULMY-UHFFFAOYSA-N
MW706.85 g/mol
LogP14.54
Rot. Bonds3

About 6-(3-dibenzofuran-4-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;prop-1-ene

6-(3-dibenzofuran-4-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;prop-1-ene (PubChem CID 144604324) has the molecular formula C51H34N2O2 and a molecular weight of 706.85 g/mol. Its IUPAC name is 6-(3-dibenzofuran-4-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;prop-1-ene.

Molecular Properties

Compound Name6-(3-dibenzofuran-4-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;prop-1-ene
PubChem CID144604324
Molecular FormulaC51H34N2O2
Molecular Weight706.85 g/mol
Exact Mass706.26
IUPAC Name6-(3-dibenzofuran-4-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;prop-1-ene
SMILESC=CC.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4ccc32)cc1
InChIInChI=1S/C48H28N2O2.C3H6/c1-2-13-30(14-3-1)49-39-21-7-4-17-37(39)44-41(49)26-24-35-36-25-27-42-45(48(36)52-47(35)44)38-18-5-8-22-40(38)50(42)31-15-10-12-29(28-31)32-19-11-20-34-33-16-6-9-23-43(33)51-46(32)34;1-3-2/h1-28H;3H,1H2,2H3
InChIKeyVNZWGBKTXLULMY-UHFFFAOYSA-N
XLogP14.54
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(3-dibenzofuran-4-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;prop-1-ene with MolForge

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Related Compounds

5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
15-dibenzofuran-4-yl-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(3-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-(4-dibenzofuran-4-ylphenyl)-24-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 160912850
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-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
CID 144670218
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718

Frequently Asked Questions

What is the IUPAC name of 6-(3-dibenzofuran-4-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;prop-1-ene?
The IUPAC name of 6-(3-dibenzofuran-4-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;prop-1-ene (CID 144604324) is 6-(3-dibenzofuran-4-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;prop-1-ene.
What is the SMILES notation for 6-(3-dibenzofuran-4-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;prop-1-ene?
The canonical SMILES for 6-(3-dibenzofuran-4-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;prop-1-ene is C=CC.c1ccc(-n2c3ccccc3c3c4oc5c(ccc6c5c5ccccc5n6-c5cccc(-c6cccc7c6oc6ccccc67)c5)c4ccc32)cc1.
What is the InChIKey of 6-(3-dibenzofuran-4-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;prop-1-ene?
The InChIKey is VNZWGBKTXLULMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2.C3H6/c1-2-13-30(14-3-1)49-39-21-7-4-17-37(39)44-41(49)26-24-35-36-25-27-42-45(48(36)52-47(35)44)38-18-5-8-22-40(38)50(42)31-15-10-12-29(28-31)32-19-11-20-34-33-16-6-9-23-43(33)51-46(32)34;1-3-2/h1-28H;3H,1H2,2H3.
What are the key properties of 6-(3-dibenzofuran-4-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;prop-1-ene?
6-(3-dibenzofuran-4-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;prop-1-ene has a molecular weight of 706.85 g/mol, XLogP of 14.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-dibenzofuran-4-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;prop-1-ene is sourced from PubChem (CID 144604324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).