5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene

C48H26N2O4 — CID 126570187

IUPAC5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc5c(c43)Oc3ccc4c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c4c3O5)cc12
InChIInChI=1S/C48H26N2O4/c1-5-13-37-29(9-1)33-19-23-43-47(45(33)49(37)27-17-21-41-35(25-27)31-11-3-7-15-39(31)51-41)53-44-24-20-34-30-10-2-6-14-38(30)50(46(34)48(44)54-43)28-18-22-42-36(26-28)32-12-4-8-16-40(32)52-42/h1-26H
InChIKeyBEFKIEVUBOANES-UHFFFAOYSA-N
MW694.75 g/mol
LogP13.58
Rot. Bonds2

About 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene

5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene (PubChem CID 126570187) has the molecular formula C48H26N2O4 and a molecular weight of 694.75 g/mol. Its IUPAC name is 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene.

Molecular Properties

Compound Name5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
PubChem CID126570187
Molecular FormulaC48H26N2O4
Molecular Weight694.75 g/mol
Exact Mass694.19
IUPAC Name5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
SMILESc1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc5c(c43)Oc3ccc4c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c4c3O5)cc12
InChIInChI=1S/C48H26N2O4/c1-5-13-37-29(9-1)33-19-23-43-47(45(33)49(37)27-17-21-41-35(25-27)31-11-3-7-15-39(31)51-41)53-44-24-20-34-30-10-2-6-14-38(30)50(46(34)48(44)54-43)28-18-22-42-36(26-28)32-12-4-8-16-40(32)52-42/h1-26H
InChIKeyBEFKIEVUBOANES-UHFFFAOYSA-N
XLogP13.58
TPSA54.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.75
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,19-di(dibenzofuran-2-yl)-16,16-dimethyl-2-oxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
CID 126566676
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
11-dibenzofuran-2-yl-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118501894
4-dibenzofuran-2-yl-1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaene
CID 118330989
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
12-dibenzofuran-2-yl-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167030159
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
11-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 118479991
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285

Frequently Asked Questions

What is the IUPAC name of 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
The IUPAC name of 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene (CID 126570187) is 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene.
What is the SMILES notation for 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
The canonical SMILES for 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene is c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4ccc5c(c43)Oc3ccc4c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c4c3O5)cc12.
What is the InChIKey of 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
The InChIKey is BEFKIEVUBOANES-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26N2O4/c1-5-13-37-29(9-1)33-19-23-43-47(45(33)49(37)27-17-21-41-35(25-27)31-11-3-7-15-39(31)51-41)53-44-24-20-34-30-10-2-6-14-38(30)50(46(34)48(44)54-43)28-18-22-42-36(26-28)32-12-4-8-16-40(32)52-42/h1-26H.
What are the key properties of 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene?
5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene has a molecular weight of 694.75 g/mol, XLogP of 13.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,19-di(dibenzofuran-2-yl)-2,16-dioxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene is sourced from PubChem (CID 126570187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).