18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione

C50H33NO3 — CID 164528448

IUPAC18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione
SMILESCC1(C)c2ccccc2C(=O)c2cc3c(cc21)c1cc(-c2ccc4c(c2)oc2ccccc24)cc2c4cc5c(cc4n3c12)C(=O)c1ccccc1C5(C)C
InChIInChI=1S/C50H33NO3/c1-49(2)38-14-8-5-12-30(38)47(52)36-24-42-32(22-40(36)49)34-19-27(26-17-18-29-28-11-7-10-16-44(28)54-45(29)21-26)20-35-33-23-41-37(25-43(33)51(42)46(34)35)48(53)31-13-6-9-15-39(31)50(41,3)4/h5-25H,1-4H3
InChIKeyJJOBVARPJQMZNL-UHFFFAOYSA-N
MW695.82 g/mol
LogP12.14
Rot. Bonds1

About 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione

18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione (PubChem CID 164528448) has the molecular formula C50H33NO3 and a molecular weight of 695.82 g/mol. Its IUPAC name is 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione.

Molecular Properties

Compound Name18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione
PubChem CID164528448
Molecular FormulaC50H33NO3
Molecular Weight695.82 g/mol
Exact Mass695.25
IUPAC Name18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione
SMILESCC1(C)c2ccccc2C(=O)c2cc3c(cc21)c1cc(-c2ccc4c(c2)oc2ccccc24)cc2c4cc5c(cc4n3c12)C(=O)c1ccccc1C5(C)C
InChIInChI=1S/C50H33NO3/c1-49(2)38-14-8-5-12-30(38)47(52)36-24-42-32(22-40(36)49)34-19-27(26-17-18-29-28-11-7-10-16-44(28)54-45(29)21-26)20-35-33-23-41-37(25-43(33)51(42)46(34)35)48(53)31-13-6-9-15-39(31)50(41,3)4/h5-25H,1-4H3
InChIKeyJJOBVARPJQMZNL-UHFFFAOYSA-N
XLogP12.14
TPSA51.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.82
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione with MolForge

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Related Compounds

2-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907338
29,29-dimethyl-11-oxa-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.023,28]tritriaconta-2(14),3,5,7,9,12,15,17,19(33),20,22(30),23,25,27,31-pentadecaene
CID 146375845
14-(9,9-dimethylfluoren-3-yl)-26-oxa-1,3,10-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.019,27.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18,20,22,24,27-tetradecaene
CID 129092449
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
29,29-dimethyl-3-oxa-19-azanonacyclo[17.13.1.02,10.04,9.012,33.013,18.020,32.022,30.023,28]tritriaconta-1(33),2(10),4,6,8,11,13,15,17,20,22(30),23,25,27,31-pentadecaene
CID 146376220
16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
CID 146620727
8-(11,11-dimethyl-5-phenylindeno[1,2-b]carbazol-3-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 134223350
11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
7-dibenzofuran-2-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-dibenzofuran-3-yl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 160626252
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-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-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-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 162139305
3-[10-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)anthracen-9-yl]dibenzofuran
CID 122426220

Frequently Asked Questions

What is the IUPAC name of 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione?
The IUPAC name of 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione (CID 164528448) is 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione.
What is the SMILES notation for 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione?
The canonical SMILES for 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione is CC1(C)c2ccccc2C(=O)c2cc3c(cc21)c1cc(-c2ccc4c(c2)oc2ccccc24)cc2c4cc5c(cc4n3c12)C(=O)c1ccccc1C5(C)C.
What is the InChIKey of 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione?
The InChIKey is JJOBVARPJQMZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO3/c1-49(2)38-14-8-5-12-30(38)47(52)36-24-42-32(22-40(36)49)34-19-27(26-17-18-29-28-11-7-10-16-44(28)54-45(29)21-26)20-35-33-23-41-37(25-43(33)51(42)46(34)35)48(53)31-13-6-9-15-39(31)50(41,3)4/h5-25H,1-4H3.
What are the key properties of 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione?
18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione has a molecular weight of 695.82 g/mol, XLogP of 12.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-dibenzofuran-3-yl-12,12,24,24-tetramethyl-1-azanonacyclo[18.14.1.02,15.04,13.06,11.016,35.021,34.023,32.025,30]pentatriaconta-2,4(13),6,8,10,14,16,18,20(35),21,23(32),25,27,29,33-pentadecaene-5,31-dione is sourced from PubChem (CID 164528448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).