3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine

C158H98N2O14 — CID 161054190

IUPAC3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)c2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)cc12.c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)OCOc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c12.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)c2)c1
InChIInChI=1S/C43H28O3.C41H26N2O3.2C37H22O4/c1-3-10-28(11-4-1)32-22-33(29-12-5-2-6-13-29)24-34(23-32)30-19-21-39-38(25-30)36-20-18-31(26-42(36)45-27-44-39)35-15-9-17-41-43(35)37-14-7-8-16-40(37)46-41;1-2-10-38-35(8-1)41-33(9-3-11-39(41)46-38)27-12-14-34-36-21-26(13-15-37(36)44-25-45-40(34)22-27)30-18-31(28-6-4-16-42-23-28)20-32(19-30)29-7-5-17-43-24-29;1-3-11-31-27(7-1)36-24(9-5-13-33(36)40-31)22-16-18-30-29(19-22)26-17-15-23(20-35(26)39-21-38-30)25-10-6-14-34-37(25)28-8-2-4-12-32(28)41-34;1-3-9-32-26(6-1)30-19-23(14-17-34(30)40-32)22-13-16-31-29(18-22)27-15-12-24(20-36(27)39-21-38-31)25-8-5-11-35-37(25)28-7-2-4-10-33(28)41-35/h1-26H,27H2;1-24H,25H2;2*1-20H,21H2
InChIKeyUCNIPBRCBJZOTC-UHFFFAOYSA-N
MW2248.52 g/mol
LogP42.52
Rot. Bonds12

About 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine

3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine (PubChem CID 161054190) has the molecular formula C158H98N2O14 and a molecular weight of 2248.52 g/mol. Its IUPAC name is 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine.

Molecular Properties

Compound Name3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine
PubChem CID161054190
Molecular FormulaC158H98N2O14
Molecular Weight2248.52 g/mol
Exact Mass2246.70
IUPAC Name3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)c2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)cc12.c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)OCOc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c12.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)c2)c1
InChIInChI=1S/C43H28O3.C41H26N2O3.2C37H22O4/c1-3-10-28(11-4-1)32-22-33(29-12-5-2-6-13-29)24-34(23-32)30-19-21-39-38(25-30)36-20-18-31(26-42(36)45-27-44-39)35-15-9-17-41-43(35)37-14-7-8-16-40(37)46-41;1-2-10-38-35(8-1)41-33(9-3-11-39(41)46-38)27-12-14-34-36-21-26(13-15-37(36)44-25-45-40(34)22-27)30-18-31(28-6-4-16-42-23-28)20-32(19-30)29-7-5-17-43-24-29;1-3-11-31-27(7-1)36-24(9-5-13-33(36)40-31)22-16-18-30-29(19-22)26-17-15-23(20-35(26)39-21-38-30)25-10-6-14-34-37(25)28-8-2-4-12-32(28)41-34;1-3-9-32-26(6-1)30-19-23(14-17-34(30)40-32)22-13-16-31-29(18-22)27-15-12-24(20-36(27)39-21-38-31)25-8-5-11-35-37(25)28-7-2-4-10-33(28)41-35/h1-26H,27H2;1-24H,25H2;2*1-20H,21H2
InChIKeyUCNIPBRCBJZOTC-UHFFFAOYSA-N
XLogP42.52
TPSA178.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002248.52
LogP ≤ 542.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-5-pyridin-3-ylphenyl]pyridine;3-[3-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-5-pyridin-3-ylphenyl]pyridine
CID 162050726
bis(9-(10-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-3-yl)-3-isocyanocarbazole);9-(10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepin-3-yl)-3-isocyanocarbazole;9-[10-(3,5-dipyridin-3-ylphenyl)benzo[d][1,3]benzodioxepin-3-yl]carbazole-3-carbonitrile
CID 159379525
3-[3-(3-dibenzofuran-2-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441866
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441614
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441577
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441507
3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-6,6-dimethylbenzo[d][1,3]benzodioxepine
CID 121441859
4-(3-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-10-yl)-2,6-diphenylpyridine;3-[3-(3-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine;3,10-di(dibenzofuran-1-yl)-5,7-dihydrobenzo[d][2]benzoxepine
CID 162096333
10-dibenzofuran-2-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441802
10-dibenzofuran-1-yl-2-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepine
CID 121441800
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
3-[3-(3-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441841

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine?
The IUPAC name of 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine (CID 161054190) is 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine.
What is the SMILES notation for 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine?
The canonical SMILES for 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)c2)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)cc12.c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)OCOc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c12.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3OCO4)c2)c1.
What is the InChIKey of 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine?
The InChIKey is UCNIPBRCBJZOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28O3.C41H26N2O3.2C37H22O4/c1-3-10-28(11-4-1)32-22-33(29-12-5-2-6-13-29)24-34(23-32)30-19-21-39-38(25-30)36-20-18-31(26-42(36)45-27-44-39)35-15-9-17-41-43(35)37-14-7-8-16-40(37)46-41;1-2-10-38-35(8-1)41-33(9-3-11-39(41)46-38)27-12-14-34-36-21-26(13-15-37(36)44-25-45-40(34)22-27)30-18-31(28-6-4-16-42-23-28)20-32(19-30)29-7-5-17-43-24-29;1-3-11-31-27(7-1)36-24(9-5-13-33(36)40-31)22-16-18-30-29(19-22)26-17-15-23(20-35(26)39-21-38-30)25-10-6-14-34-37(25)28-8-2-4-12-32(28)41-34;1-3-9-32-26(6-1)30-19-23(14-17-34(30)40-32)22-13-16-31-29(18-22)27-15-12-24(20-36(27)39-21-38-31)25-8-5-11-35-37(25)28-7-2-4-10-33(28)41-35/h1-26H,27H2;1-24H,25H2;2*1-20H,21H2.
What are the key properties of 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine?
3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine has a molecular weight of 2248.52 g/mol, XLogP of 42.52, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-dibenzofuran-1-ylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine;3-dibenzofuran-1-yl-10-dibenzofuran-2-ylbenzo[d][1,3]benzodioxepine;3-dibenzofuran-1-yl-10-(3,5-diphenylphenyl)benzo[d][1,3]benzodioxepine;3,10-di(dibenzofuran-1-yl)benzo[d][1,3]benzodioxepine is sourced from PubChem (CID 161054190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).