23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

C46H26N2O — CID 130258280

IUPAC23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESc1ccc2cc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4oc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C46H26N2O/c1-2-12-28-23-29(22-21-27(28)11-1)30-24-36-32-14-6-10-20-42(32)49-46(36)41(25-30)47-38-18-8-4-15-33(38)43-40(47)26-35-31-13-3-7-17-37(31)48-39-19-9-5-16-34(39)44(43)45(35)48/h1-26H
InChIKeyWPQRNEBGKPNZSR-UHFFFAOYSA-N
MW622.73 g/mol
LogP12.65
Rot. Bonds2

About 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene

23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (PubChem CID 130258280) has the molecular formula C46H26N2O and a molecular weight of 622.73 g/mol. Its IUPAC name is 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.

Molecular Properties

Compound Name23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
PubChem CID130258280
Molecular FormulaC46H26N2O
Molecular Weight622.73 g/mol
Exact Mass622.20
IUPAC Name23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
SMILESc1ccc2cc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4oc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C46H26N2O/c1-2-12-28-23-29(22-21-27(28)11-1)30-24-36-32-14-6-10-20-42(32)49-46(36)41(25-30)47-38-18-8-4-15-33(38)43-40(47)26-35-31-13-3-7-17-37(31)48-39-19-9-5-16-34(39)44(43)45(35)48/h1-26H
InChIKeyWPQRNEBGKPNZSR-UHFFFAOYSA-N
XLogP12.65
TPSA22.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene with MolForge

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Related Compounds

13,35-di(dibenzofuran-4-yl)-1,13,23,35-tetrazatridecacyclo[25.17.1.15,16.02,26.04,24.06,14.07,12.017,22.028,36.029,34.038,45.039,44.023,46]hexatetraconta-2(26),3,5(46),6(14),7,9,11,15,17,19,21,24,27(45),28(36),29,31,33,37,39,41,43-henicosaene
CID 146497228
4-naphthalen-2-yl-2-(19-phenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17(22),18,20-dodecaen-23-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130258771
4-(5,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaen-23-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine;4-(5,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaen-23-yl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-(5,19-diphenyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaen-23-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 159882796
2-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),3,5,7,9,11,15,17,19,21,24,26,28-tetradecaen-13-yl)-4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 130258549
9-(6-carbazol-9-yl-8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole
CID 58099651
3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
CID 144723930
9,31-di(dibenzofuran-4-yl)-5,9,27,31-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.010,15.028,40.030,38.032,37.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,10,12,14,16,19(46),20,22,25,28(40),29,32,34,36,38,41(45),42-henicosaene;15,37-di(dibenzofuran-4-yl)-5,15,27,37-tetrazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.08,16.09,14.028,40.030,38.031,36.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7,9,11,13,16,19(46),20,22,25,28(40),29,31,33,35,38,41(45),42-henicosaene;1,7,28,34-tetrazaheptadecacyclo[30.22.1.15,21.17,14.134,41.02,31.04,29.06,19.08,13.022,27.033,46.035,40.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),8,10,12,14(58),15,17,20,22,24,26,29,32(55),33(46),35,37,39,41(56),42,44,47,49,51,53-heptacosaene;1,18,28,45-tetrazaheptadecacyclo[30.22.1.15,21.17,11.134,38.02,31.04,29.06,19.012,17.022,27.033,46.039,44.048,55.049,54.018,58.028,57.045,56]octapentaconta-2(31),3,5(57),6(19),7,9,11(58),12,14,16,20,22,24,26,29,32(55),33(46),34,36,38(56),39,41,43,47,49,51,53-heptacosaene;5,14,32,41-tetrazaheptadecacyclo[30.22.1.15,12.114,21.141,48.02,31.04,29.06,11.013,26.015,20.033,38.039,55.040,53.042,47.025,57.028,58.052,56]octapentaconta-1(55),2,4(29),6,8,10,12,15,17,19,21(57),22,24,26,28(58),30,33,35,37,39,42,44,46,48(56),49,51,53-heptacosaene;5,25,32,52-tetrazaheptadecacyclo[30.22.1.15,12.114,18.141,45.02,31.04,29.06,11.013,26.019,24.033,38.039,55.040,53.046,51.025,57.028,58.052,56]octapentaconta-1(54),2,4(29),6,8,10,12(58),13(26),14,16,18(57),19,21,23,27,30,33,35,37,39(55),40(53),41,43,45(56),46,48,50-heptacosaene
CID 159455826
2-[4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130258721
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
5-[2-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 155043006

Frequently Asked Questions

What is the IUPAC name of 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The IUPAC name of 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene (CID 130258280) is 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene.
What is the SMILES notation for 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The canonical SMILES for 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is c1ccc2cc(-c3cc(-n4c5ccccc5c5c6c7ccccc7n7c8ccccc8c(cc54)c67)c4oc5ccccc5c4c3)ccc2c1.
What is the InChIKey of 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
The InChIKey is WPQRNEBGKPNZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O/c1-2-12-28-23-29(22-21-27(28)11-1)30-24-36-32-14-6-10-20-42(32)49-46(36)41(25-30)47-38-18-8-4-15-33(38)43-40(47)26-35-31-13-3-7-17-37(31)48-39-19-9-5-16-34(39)44(43)45(35)48/h1-26H.
What are the key properties of 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene?
23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene has a molecular weight of 622.73 g/mol, XLogP of 12.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(2-naphthalen-2-yldibenzofuran-4-yl)-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene is sourced from PubChem (CID 130258280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).