4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine

C42H27NO3 — CID 121441805

IUPAC4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3OCO4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27NO3/c1-3-10-27(11-4-1)37-24-31(25-38(43-37)28-12-5-2-6-13-28)29-18-20-39-35(22-29)36-23-30(19-21-40(36)45-26-44-39)32-15-9-16-34-33-14-7-8-17-41(33)46-42(32)34/h1-25H,26H2
InChIKeyCZUIIMIZGWXEQT-UHFFFAOYSA-N
MW593.68 g/mol
LogP11.04
Rot. Bonds4

About 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine

4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine (PubChem CID 121441805) has the molecular formula C42H27NO3 and a molecular weight of 593.68 g/mol. Its IUPAC name is 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine
PubChem CID121441805
Molecular FormulaC42H27NO3
Molecular Weight593.68 g/mol
Exact Mass593.20
IUPAC Name4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3OCO4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C42H27NO3/c1-3-10-27(11-4-1)37-24-31(25-38(43-37)28-12-5-2-6-13-28)29-18-20-39-35(22-29)36-23-30(19-21-40(36)45-26-44-39)32-15-9-16-34-33-14-7-8-17-41(33)46-42(32)34/h1-25H,26H2
InChIKeyCZUIIMIZGWXEQT-UHFFFAOYSA-N
XLogP11.04
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.68
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2,4-bis(3-dibenzofuran-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585319
4-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171585380
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine?
The IUPAC name of 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine (CID 121441805) is 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine is c1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3OCO4)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine?
The InChIKey is CZUIIMIZGWXEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO3/c1-3-10-27(11-4-1)37-24-31(25-38(43-37)28-12-5-2-6-13-28)29-18-20-39-35(22-29)36-23-30(19-21-40(36)45-26-44-39)32-15-9-16-34-33-14-7-8-17-41(33)46-42(32)34/h1-25H,26H2.
What are the key properties of 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine?
4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine has a molecular weight of 593.68 g/mol, XLogP of 11.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-dibenzofuran-4-ylbenzo[d][1,3]benzodioxepin-2-yl)-2,6-diphenylpyridine is sourced from PubChem (CID 121441805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).