16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene

C38H25N3O2 — CID 144984427

IUPAC16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene
SMILESC1=CC2Nc3c(n4c5ccc(-c6ccc7c8c(oc7c6)C=CCC8)cc5c5c6c(cc3c54)oc3ccccc36)NC2C=C1
InChIInChI=1S/C38H25N3O2/c1-5-11-30-22(7-1)23-15-13-21(18-32(23)42-30)20-14-16-29-25(17-20)35-34-24-8-2-6-12-31(24)43-33(34)19-26-36-38(41(29)37(26)35)40-28-10-4-3-9-27(28)39-36/h2-6,8-19,27-28,39-40H,1,7H2
InChIKeySTNNEXMJEYPZHE-UHFFFAOYSA-N
MW555.64 g/mol
LogP9.66
Rot. Bonds1

About 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene

16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene (PubChem CID 144984427) has the molecular formula C38H25N3O2 and a molecular weight of 555.64 g/mol. Its IUPAC name is 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene.

Molecular Properties

Compound Name16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene
PubChem CID144984427
Molecular FormulaC38H25N3O2
Molecular Weight555.64 g/mol
Exact Mass555.19
IUPAC Name16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene
SMILESC1=CC2Nc3c(n4c5ccc(-c6ccc7c8c(oc7c6)C=CCC8)cc5c5c6c(cc3c54)oc3ccccc36)NC2C=C1
InChIInChI=1S/C38H25N3O2/c1-5-11-30-22(7-1)23-15-13-21(18-32(23)42-30)20-14-16-29-25(17-20)35-34-24-8-2-6-12-31(24)43-33(34)19-26-36-38(41(29)37(26)35)40-28-10-4-3-9-27(28)39-36/h2-6,8-19,27-28,39-40H,1,7H2
InChIKeySTNNEXMJEYPZHE-UHFFFAOYSA-N
XLogP9.66
TPSA54.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.64
LogP ≤ 59.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene with MolForge

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Related Compounds

29-oxa-1,3,10-triazanonacyclo[18.13.1.02,11.04,9.012,34.013,18.021,33.022,30.023,28]tetratriaconta-2(11),5,7,12(34),13,15,17,19,21(33),22(30),23,25,27,31-tetradecaene
CID 163962040
24-dibenzothiophen-2-yl-3-oxa-19,21,28-triazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.022,27]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),23,25-dodecaene
CID 118616186
2-(7-cyclohexa-2,4-dien-1-yl-1,2-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 145140879
2-chloro-4-(8,9-dihydrodibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 153130331
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
CID 170051931
6,21-di(dibenzofuran-3-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1,3(8),4,6,10,12,14,16(32),17(31),18(23),19,21,25,27,29-pentadecaene
CID 154591200
N-[4-(8,9-dihydrodibenzofuran-3-yl)phenyl]-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234370
3-dibenzofuran-3-yl-9-(8,9-dihydrodibenzofuran-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 163629404
5-[10-(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-6-yl)anthracen-9-yl]-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-nonaene;6-[10-(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-6-yl)anthracen-9-yl]-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-nonaene
CID 159714513
5,20-di(dibenzofuran-1-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591217
27-dibenzofuran-3-yl-32-thia-1-azaoctacyclo[18.10.1.16,9.02,7.08,13.014,19.024,31.025,30]dotriaconta-2(7),3,5,8(13),9,11,14,16,18,20(31),21,23,25(30),26,28-pentadecaene
CID 139574688
22-naphthalen-2-yl-26-thia-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2(11),5,7,12,14,16(30),17,19(27),20(25),21,23,28-dodecaene
CID 144984482

Frequently Asked Questions

What is the IUPAC name of 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene?
The IUPAC name of 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene (CID 144984427) is 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene.
What is the SMILES notation for 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene?
The canonical SMILES for 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene is C1=CC2Nc3c(n4c5ccc(-c6ccc7c8c(oc7c6)C=CCC8)cc5c5c6c(cc3c54)oc3ccccc36)NC2C=C1.
What is the InChIKey of 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene?
The InChIKey is STNNEXMJEYPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O2/c1-5-11-30-22(7-1)23-15-13-21(18-32(23)42-30)20-14-16-29-25(17-20)35-34-24-8-2-6-12-31(24)43-33(34)19-26-36-38(41(29)37(26)35)40-28-10-4-3-9-27(28)39-36/h2-6,8-19,27-28,39-40H,1,7H2.
What are the key properties of 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene?
16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene has a molecular weight of 555.64 g/mol, XLogP of 9.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(8,9-dihydrodibenzofuran-3-yl)-27-oxa-3,10,12-triazaoctacyclo[17.10.1.02,11.04,9.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),5,7,13(18),14,16,19(30),20(28),21,23,25-dodecaene is sourced from PubChem (CID 144984427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).