4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine

C43H29NO2 — CID 121441625

IUPAC4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6oc7ccccc7c6c5)ccc3COC4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H29NO2/c1-3-9-28(10-4-1)40-24-35(25-41(44-40)29-11-5-2-6-12-29)32-16-18-34-27-45-26-33-17-15-30(21-37(33)38(34)22-32)31-19-20-43-39(23-31)36-13-7-8-14-42(36)46-43/h1-25H,26-27H2
InChIKeyXENGJGNYGSGAHQ-UHFFFAOYSA-N
MW591.71 g/mol
LogP11.35
Rot. Bonds4

About 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine

4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine (PubChem CID 121441625) has the molecular formula C43H29NO2 and a molecular weight of 591.71 g/mol. Its IUPAC name is 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
PubChem CID121441625
Molecular FormulaC43H29NO2
Molecular Weight591.71 g/mol
Exact Mass591.22
IUPAC Name4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6oc7ccccc7c6c5)ccc3COC4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C43H29NO2/c1-3-9-28(10-4-1)40-24-35(25-41(44-40)29-11-5-2-6-12-29)32-16-18-34-27-45-26-33-17-15-30(21-37(33)38(34)22-32)31-19-20-43-39(23-31)36-13-7-8-14-42(36)46-43/h1-25H,26-27H2
InChIKeyXENGJGNYGSGAHQ-UHFFFAOYSA-N
XLogP11.35
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine with MolForge

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Related Compounds

4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine
CID 121441586
10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121441987
9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole
CID 121441596
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
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
9-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)carbazole
CID 121441526
10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine
CID 121441600
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
2-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]-4,6-diphenylpyridine
CID 154602507
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-iodo-3,5-diphenylphenyl)dibenzofuran
CID 177108172
2,4-diphenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]pyridine
CID 134198825

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine?
The IUPAC name of 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine (CID 121441625) is 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine is c1ccc(-c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6oc7ccccc7c6c5)ccc3COC4)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine?
The InChIKey is XENGJGNYGSGAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO2/c1-3-9-28(10-4-1)40-24-35(25-41(44-40)29-11-5-2-6-12-29)32-16-18-34-27-45-26-33-17-15-30(21-37(33)38(34)22-32)31-19-20-43-39(23-31)36-13-7-8-14-42(36)46-43/h1-25H,26-27H2.
What are the key properties of 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine?
4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine has a molecular weight of 591.71 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine is sourced from PubChem (CID 121441625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).