6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

C39H23N5O2 — CID 144670262

IUPAC6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESC1=CC2Oc3cccnc3C2C=C1n1c2cccnc2c2c3oc4c(ccc5c4c4ncccc4n5-c4ccccc4)c3ccc21
InChIInChI=1S/C39H23N5O2/c1-2-7-22(8-3-1)43-27-15-13-24-25-14-16-28-34(39(25)46-38(24)33(27)36-29(43)9-4-18-41-36)37-30(10-5-19-42-37)44(28)23-12-17-31-26(21-23)35-32(45-31)11-6-20-40-35/h1-21,26,31H
InChIKeyPNTFUDWABOKRCJ-UHFFFAOYSA-N
MW593.65 g/mol
LogP8.93
Rot. Bonds2

About 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene

6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (PubChem CID 144670262) has the molecular formula C39H23N5O2 and a molecular weight of 593.65 g/mol. Its IUPAC name is 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.

Molecular Properties

Compound Name6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
PubChem CID144670262
Molecular FormulaC39H23N5O2
Molecular Weight593.65 g/mol
Exact Mass593.19
IUPAC Name6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene
SMILESC1=CC2Oc3cccnc3C2C=C1n1c2cccnc2c2c3oc4c(ccc5c4c4ncccc4n5-c4ccccc4)c3ccc21
InChIInChI=1S/C39H23N5O2/c1-2-7-22(8-3-1)43-27-15-13-24-25-14-16-28-34(39(25)46-38(24)33(27)36-29(43)9-4-18-41-36)37-30(10-5-19-42-37)44(28)23-12-17-31-26(21-23)35-32(45-31)11-6-20-40-35/h1-21,26,31H
InChIKeyPNTFUDWABOKRCJ-UHFFFAOYSA-N
XLogP8.93
TPSA70.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.65
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene with MolForge

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Related Compounds

5-(8-pyrido[3,2-b]indol-5-yl-5a,9a-dihydrodibenzofuran-4-yl)pyrido[3,2-b]indole
CID 147120905
18-phenyl-19-[(Z)-prop-1-enyl]-9-pyridin-2-yl-23-oxa-4,9,18-triazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3(8),4,6,11,14(22),15,17(21),19-decaen-20-amine
CID 144604400
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
N-[(1Z,3Z)-1-[6-(6-phenyl-15-oxa-6,11,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaen-24-yl)-2-pyridinyl]penta-1,3-dienyl]methanimine
CID 134462173
3,24-diphenyl-3,12,24-triazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 122523763
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-4,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 146973645
6,32-diphenyl-19-oxa-6,32-diazanonacyclo[18.15.0.02,18.05,17.07,16.010,15.021,33.022,31.023,28]pentatriaconta-1(20),2(18),3,5(17),7(16),8,10,12,14,21(33),22(31),23,25,27,29,34-hexadecaene
CID 138736937
9-phenyl-21-oxa-9-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one
CID 118248294
20-[3-(3-carbazol-9-ylphenyl)phenyl]-9-phenyl-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 139574904
5-phenyl-11-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 146541874
3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole
CID 118927953

Frequently Asked Questions

What is the IUPAC name of 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The IUPAC name of 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene (CID 144670262) is 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene.
What is the SMILES notation for 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The canonical SMILES for 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is C1=CC2Oc3cccnc3C2C=C1n1c2cccnc2c2c3oc4c(ccc5c4c4ncccc4n5-c4ccccc4)c3ccc21.
What is the InChIKey of 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
The InChIKey is PNTFUDWABOKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5O2/c1-2-7-22(8-3-1)43-27-15-13-24-25-14-16-28-34(39(25)46-38(24)33(27)36-29(43)9-4-18-41-36)37-30(10-5-19-42-37)44(28)23-12-17-31-26(21-23)35-32(45-31)11-6-20-40-35/h1-21,26,31H.
What are the key properties of 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene?
6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene has a molecular weight of 593.65 g/mol, XLogP of 8.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5a,9a-dihydro-[1]benzofuro[3,2-b]pyridin-8-yl)-24-phenyl-15-oxa-6,11,19,24-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene is sourced from PubChem (CID 144670262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).