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

C167H111N3O9 — CID 162096333

IUPAC4-(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
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)c2)cc1.c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)COCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c12.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)c2)c1
InChIInChI=1S/C44H30O2.C43H29NO2.C42H28N2O2.C38H24O3/c1-3-10-29(11-4-1)34-23-35(30-12-5-2-6-13-30)25-36(24-34)31-18-19-33-27-45-28-37-22-32(20-21-38(37)41(33)26-31)39-15-9-17-43-44(39)40-14-7-8-16-42(40)46-43;1-3-10-28(11-4-1)39-24-33(25-40(44-39)29-12-5-2-6-13-29)30-18-19-32-26-45-27-34-22-31(20-21-35(34)38(32)23-30)36-15-9-17-42-43(36)37-14-7-8-16-41(37)46-42;1-2-10-40-38(8-1)42-37(9-3-11-41(42)46-40)28-14-15-36-35(18-28)26-45-25-31-13-12-27(22-39(31)36)32-19-33(29-6-4-16-43-23-29)21-34(20-32)30-7-5-17-44-24-30;1-3-11-33-30(7-1)37-28(9-5-13-35(37)40-33)23-17-18-27-26(19-23)22-39-21-25-16-15-24(20-32(25)27)29-10-6-14-36-38(29)31-8-2-4-12-34(31)41-36/h1-26H,27-28H2;1-25H,26-27H2;1-24H,25-26H2;1-20H,21-22H2
InChIKeyZEHJKEDDYUODTO-UHFFFAOYSA-N
MW2303.74 g/mol
LogP44.56
Rot. Bonds14

About 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

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 (PubChem CID 162096333) has the molecular formula C167H111N3O9 and a molecular weight of 2303.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID162096333
Molecular FormulaC167H111N3O9
Molecular Weight2303.74 g/mol
Exact Mass2301.83
IUPAC Name4-(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
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)c2)cc1.c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)COCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c12.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)c2)c1
InChIInChI=1S/C44H30O2.C43H29NO2.C42H28N2O2.C38H24O3/c1-3-10-29(11-4-1)34-23-35(30-12-5-2-6-13-30)25-36(24-34)31-18-19-33-27-45-28-37-22-32(20-21-38(37)41(33)26-31)39-15-9-17-43-44(39)40-14-7-8-16-42(40)46-43;1-3-10-28(11-4-1)39-24-33(25-40(44-39)29-12-5-2-6-13-29)30-18-19-32-26-45-27-34-22-31(20-21-35(34)38(32)23-30)36-15-9-17-42-43(36)37-14-7-8-16-41(37)46-42;1-2-10-40-38(8-1)42-37(9-3-11-41(42)46-40)28-14-15-36-35(18-28)26-45-25-31-13-12-27(22-39(31)36)32-19-33(29-6-4-16-43-23-29)21-34(20-32)30-7-5-17-44-24-30;1-3-11-33-30(7-1)37-28(9-5-13-35(37)40-33)23-17-18-27-26(19-23)22-39-21-25-16-15-24(20-32(25)27)29-10-6-14-36-38(29)31-8-2-4-12-34(31)41-36/h1-26H,27-28H2;1-25H,26-27H2;1-24H,25-26H2;1-20H,21-22H2
InChIKeyZEHJKEDDYUODTO-UHFFFAOYSA-N
XLogP44.56
TPSA141.29 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002303.74
LogP ≤ 544.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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]benzoxepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441614
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
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441507
4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine
CID 121441586
4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
CID 121441625
4-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;4-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;4-[10-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-3-yl]-2,6-diphenylpyridine
CID 160901581
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077939
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
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)c2)cc1.c1ccc2c(c1)oc1cccc(-c3ccc4c(c3)COCc3ccc(-c5cccc6oc7ccccc7c56)cc3-4)c12.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc4c(c3)-c3ccc(-c5cccc6oc7ccccc7c56)cc3COC4)c2)c1.
What is the InChIKey of 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?
The InChIKey is ZEHJKEDDYUODTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2.C43H29NO2.C42H28N2O2.C38H24O3/c1-3-10-29(11-4-1)34-23-35(30-12-5-2-6-13-30)25-36(24-34)31-18-19-33-27-45-28-37-22-32(20-21-38(37)41(33)26-31)39-15-9-17-43-44(39)40-14-7-8-16-42(40)46-43;1-3-10-28(11-4-1)39-24-33(25-40(44-39)29-12-5-2-6-13-29)30-18-19-32-26-45-27-34-22-31(20-21-35(34)38(32)23-30)36-15-9-17-42-43(36)37-14-7-8-16-41(37)46-42;1-2-10-40-38(8-1)42-37(9-3-11-41(42)46-40)28-14-15-36-35(18-28)26-45-25-31-13-12-27(22-39(31)36)32-19-33(29-6-4-16-43-23-29)21-34(20-32)30-7-5-17-44-24-30;1-3-11-33-30(7-1)37-28(9-5-13-35(37)40-33)23-17-18-27-26(19-23)22-39-21-25-16-15-24(20-32(25)27)29-10-6-14-36-38(29)31-8-2-4-12-34(31)41-36/h1-26H,27-28H2;1-25H,26-27H2;1-24H,25-26H2;1-20H,21-22H2.
What are the key properties of 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?
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 has a molecular weight of 2303.74 g/mol, XLogP of 44.56, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162096333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).