10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine

C44H30O2 — CID 121441600

IUPAC10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3COC4)c2)cc1
InChIInChI=1S/C44H30O2/c1-3-10-29(11-4-1)35-22-36(30-12-5-2-6-13-30)24-37(23-35)31-18-20-33-27-45-28-34-21-19-32(26-42(34)41(33)25-31)38-15-9-16-40-39-14-7-8-17-43(39)46-44(38)40/h1-26H,27-28H2
InChIKeyXYEWFOIYIMSUDS-UHFFFAOYSA-N
MW590.72 g/mol
LogP11.95
Rot. Bonds4

About 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine

10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine (PubChem CID 121441600) has the molecular formula C44H30O2 and a molecular weight of 590.72 g/mol. Its IUPAC name is 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine.

Molecular Properties

Compound Name10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine
PubChem CID121441600
Molecular FormulaC44H30O2
Molecular Weight590.72 g/mol
Exact Mass590.22
IUPAC Name10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3COC4)c2)cc1
InChIInChI=1S/C44H30O2/c1-3-10-29(11-4-1)35-22-36(30-12-5-2-6-13-30)24-37(23-35)31-18-20-33-27-45-28-34-21-19-32(26-42(34)41(33)25-31)38-15-9-16-40-39-14-7-8-17-43(39)46-44(38)40/h1-26H,27-28H2
InChIKeyXYEWFOIYIMSUDS-UHFFFAOYSA-N
XLogP11.95
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-dibenzofuran-4-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441666
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-(2-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-10-yl)dibenzofuran
CID 121441519
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 59137016
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441614

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine?
The IUPAC name of 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine (CID 121441600) is 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine.
What is the SMILES notation for 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine?
The canonical SMILES for 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)-c3cc(-c5cccc6c5oc5ccccc56)ccc3COC4)c2)cc1.
What is the InChIKey of 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine?
The InChIKey is XYEWFOIYIMSUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O2/c1-3-10-29(11-4-1)35-22-36(30-12-5-2-6-13-30)24-37(23-35)31-18-20-33-27-45-28-34-21-19-32(26-42(34)41(33)25-31)38-15-9-16-40-39-14-7-8-17-43(39)46-44(38)40/h1-26H,27-28H2.
What are the key properties of 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine?
10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine has a molecular weight of 590.72 g/mol, XLogP of 11.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine is sourced from PubChem (CID 121441600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).