N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine

C39H22N2O3 — CID 167171681

IUPACN,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(ccc5c6cccnc6oc45)c3)c3ccc4c(c3)oc3ccccc34)ccc12
InChIInChI=1S/C39H22N2O3/c1-3-9-34-28(6-1)30-17-13-25(21-36(30)42-34)41(26-14-18-31-29-7-2-4-10-35(29)43-37(31)22-26)24-12-16-27-23(20-24)11-15-32-33-8-5-19-40-39(33)44-38(27)32/h1-22H
InChIKeyJLIDMNNXMRCILL-UHFFFAOYSA-N
MW566.62 g/mol
LogP11.40
Rot. Bonds3

About N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine

N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine (PubChem CID 167171681) has the molecular formula C39H22N2O3 and a molecular weight of 566.62 g/mol. Its IUPAC name is N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine.

Molecular Properties

Compound NameN,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
PubChem CID167171681
Molecular FormulaC39H22N2O3
Molecular Weight566.62 g/mol
Exact Mass566.16
IUPAC NameN,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc4c(ccc5c6cccnc6oc45)c3)c3ccc4c(c3)oc3ccccc34)ccc12
InChIInChI=1S/C39H22N2O3/c1-3-9-34-28(6-1)30-17-13-25(21-36(30)42-34)41(26-14-18-31-29-7-2-4-10-35(29)43-37(31)22-26)24-12-16-27-23(20-24)11-15-32-33-8-5-19-40-39(33)44-38(27)32/h1-22H
InChIKeyJLIDMNNXMRCILL-UHFFFAOYSA-N
XLogP11.40
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine with MolForge

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Related Compounds

N,N-di(dibenzofuran-2-yl)-3-oxa-5-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaen-18-amine
CID 167171604
N-dibenzofuran-4-yl-N-(4-phenylphenyl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171670
7-N-naphtho[1,2-b][1]benzofuran-2-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 177116861
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155360844
N-dibenzofuran-3-yl-N-naphthalen-2-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779604
N-dibenzofuran-3-yl-N-naphthalen-2-yl-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-amine
CID 146647960
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[3,2-b]pyridine-3,7-diamine
CID 164813140
N-benzo[c]phenanthren-2-yl-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 167184399
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155360838
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzofuro[3,2-b]pyridin-7-amine
CID 168738244
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 176616609
3-N,7-N-di(dibenzofuran-3-yl)-3-N,7-N-dinaphthalen-2-yl-[1]benzofuro[2,3-b]pyrazine-3,7-diamine
CID 164813257

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine?
The IUPAC name of N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine (CID 167171681) is N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine.
What is the SMILES notation for N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine?
The canonical SMILES for N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine is c1ccc2c(c1)oc1cc(N(c3ccc4c(ccc5c6cccnc6oc45)c3)c3ccc4c(c3)oc3ccccc34)ccc12.
What is the InChIKey of N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine?
The InChIKey is JLIDMNNXMRCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N2O3/c1-3-9-34-28(6-1)30-17-13-25(21-36(30)42-34)41(26-14-18-31-29-7-2-4-10-35(29)43-37(31)22-26)24-12-16-27-23(20-24)11-15-32-33-8-5-19-40-39(33)44-38(27)32/h1-22H.
What are the key properties of N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine?
N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine has a molecular weight of 566.62 g/mol, XLogP of 11.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzofuran-3-yl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine is sourced from PubChem (CID 167171681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).