27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene

C40H21NO2 — CID 134434013

IUPAC27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c5cccc6c7cc8ccc9c%10ccccc%10oc9c8cc7n(c4c3)c56)cc12
InChIInChI=1S/C40H21NO2/c1-4-11-37-26(6-1)30-16-13-24-19-32-29-9-5-8-28-25-15-12-23(20-34(25)41(39(28)29)35(32)21-31(24)40(30)43-37)22-14-17-38-33(18-22)27-7-2-3-10-36(27)42-38/h1-21H
InChIKeyKXQVTWAKABFUCH-UHFFFAOYSA-N
MW547.61 g/mol
LogP11.46
Rot. Bonds1

About 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene

27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene (PubChem CID 134434013) has the molecular formula C40H21NO2 and a molecular weight of 547.61 g/mol. Its IUPAC name is 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene.

Molecular Properties

Compound Name27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
PubChem CID134434013
Molecular FormulaC40H21NO2
Molecular Weight547.61 g/mol
Exact Mass547.16
IUPAC Name27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c5cccc6c7cc8ccc9c%10ccccc%10oc9c8cc7n(c4c3)c56)cc12
InChIInChI=1S/C40H21NO2/c1-4-11-37-26(6-1)30-16-13-24-19-32-29-9-5-8-28-25-15-12-23(20-34(25)41(39(28)29)35(32)21-31(24)40(30)43-37)22-14-17-38-33(18-22)27-7-2-3-10-36(27)42-38/h1-21H
InChIKeyKXQVTWAKABFUCH-UHFFFAOYSA-N
XLogP11.46
TPSA30.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.61
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene with MolForge

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Related Compounds

10-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-6-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.020,25.026,30]triaconta-1(29),2(18),3,5(13),7(12),8,10,14,16,20,22,24,26(30),27-tetradecaene
CID 142323862
15-dibenzofuran-2-yl-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13(18),14,16,19(23),20-undecaene
CID 126577892
6,22-bis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-di(dibenzofuran-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene
CID 161409016
32-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.07,12.028,42.029,41.031,39.033,38.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16(43),17,19,21,24(42),25,27,29(41),30,33,35,37,39-icosaene
CID 162480265
14-(4-dibenzofuran-2-ylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(4-dibenzofuran-4-ylphenyl)-7,21-di(propan-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 158620457
2-[3-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]phenyl]xanthen-9-one
CID 176758561
26-oxa-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18,20,22,24,27-tetradecaene
CID 146376243
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 118179965
12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 122471130
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
6-[8-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)dibenzofuran-2-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 142487676

Frequently Asked Questions

What is the IUPAC name of 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene?
The IUPAC name of 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene (CID 134434013) is 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene.
What is the SMILES notation for 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene?
The canonical SMILES for 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene is c1ccc2c(c1)oc1ccc(-c3ccc4c5cccc6c7cc8ccc9c%10ccccc%10oc9c8cc7n(c4c3)c56)cc12.
What is the InChIKey of 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene?
The InChIKey is KXQVTWAKABFUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H21NO2/c1-4-11-37-26(6-1)30-16-13-24-19-32-29-9-5-8-28-25-15-12-23(20-34(25)41(39(28)29)35(32)21-31(24)40(30)43-37)22-14-17-38-33(18-22)27-7-2-3-10-36(27)42-38/h1-21H.
What are the key properties of 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene?
27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene has a molecular weight of 547.61 g/mol, XLogP of 11.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene is sourced from PubChem (CID 134434013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).