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

C51H32N2O3 — CID 126566676

IUPAC5,19-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
SMILESCC1(C)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2Oc2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c21
InChIInChI=1S/C51H32N2O3/c1-51(2)39-23-21-36-32-12-4-8-16-41(32)53(30-20-25-45-38(28-30)34-14-6-10-18-43(34)55-45)49(36)50(39)56-46-26-22-35-31-11-3-7-15-40(31)52(48(35)47(46)51)29-19-24-44-37(27-29)33-13-5-9-17-42(33)54-44/h3-28H,1-2H3
InChIKeyDNEAMQJDODQMFY-UHFFFAOYSA-N
MW720.83 g/mol
LogP14.11
Rot. Bonds2

About 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

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 (PubChem CID 126566676) has the molecular formula C51H32N2O3 and a molecular weight of 720.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,19-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
PubChem CID126566676
Molecular FormulaC51H32N2O3
Molecular Weight720.83 g/mol
Exact Mass720.24
IUPAC Name5,19-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
SMILESCC1(C)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2Oc2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c21
InChIInChI=1S/C51H32N2O3/c1-51(2)39-23-21-36-32-12-4-8-16-41(32)53(30-20-25-45-38(28-30)34-14-6-10-18-43(34)55-45)49(36)50(39)56-46-26-22-35-31-11-3-7-15-40(31)52(48(35)47(46)51)29-19-24-44-37(27-29)33-13-5-9-17-42(33)54-44/h3-28H,1-2H3
InChIKeyDNEAMQJDODQMFY-UHFFFAOYSA-N
XLogP14.11
TPSA45.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.83
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
16,16-dimethyl-19-(4-phenylphenyl)-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 126567930
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
5'-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]
CID 134351523
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
CID 126569250
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
9-dibenzofuran-2-yl-18-(3-methylphenyl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501188

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c2Oc2ccc3c4ccccc4n(-c4ccc5oc6ccccc6c5c4)c3c21.
What is the InChIKey of 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?
The InChIKey is DNEAMQJDODQMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O3/c1-51(2)39-23-21-36-32-12-4-8-16-41(32)53(30-20-25-45-38(28-30)34-14-6-10-18-43(34)55-45)49(36)50(39)56-46-26-22-35-31-11-3-7-15-40(31)52(48(35)47(46)51)29-19-24-44-37(27-29)33-13-5-9-17-42(33)54-44/h3-28H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 720.83 g/mol, XLogP of 14.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126566676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).