4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine

C48H34N2O — CID 121441586

IUPAC4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)COCc3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc3-4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H34N2O/c1-5-13-33(14-6-1)45-27-40(28-46(49-45)34-15-7-2-8-16-34)37-23-24-43-42(25-37)32-51-31-39-22-21-38(26-44(39)43)41-29-47(35-17-9-3-10-18-35)50-48(30-41)36-19-11-4-12-20-36/h1-30H,31-32H2
InChIKeyGXWIESIWSJPERX-UHFFFAOYSA-N
MW654.81 g/mol
LogP12.18
Rot. Bonds6

About 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine

4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine (PubChem CID 121441586) has the molecular formula C48H34N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine
PubChem CID121441586
Molecular FormulaC48H34N2O
Molecular Weight654.81 g/mol
Exact Mass654.27
IUPAC Name4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)COCc3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc3-4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C48H34N2O/c1-5-13-33(14-6-1)45-27-40(28-46(49-45)34-15-7-2-8-16-34)37-23-24-43-42(25-37)32-51-31-39-22-21-38(26-44(39)43)41-29-47(35-17-9-3-10-18-35)50-48(30-41)36-19-11-4-12-20-36/h1-30H,31-32H2
InChIKeyGXWIESIWSJPERX-UHFFFAOYSA-N
XLogP12.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine with MolForge

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Related Compounds

9-[10-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-2-yl]carbazole
CID 121441596
4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
CID 121441625
2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9H-fluoren-3-yl]phenyl]-4,6-diphenylpyridine
CID 130439847
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-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole
CID 121441466
10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121441987
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine
CID 134271771
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine (CID 121441586) is 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3ccc4c(c3)COCc3ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)cc3-4)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine?
The InChIKey is GXWIESIWSJPERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O/c1-5-13-33(14-6-1)45-27-40(28-46(49-45)34-15-7-2-8-16-34)37-23-24-43-42(25-37)32-51-31-39-22-21-38(26-44(39)43)41-29-47(35-17-9-3-10-18-35)50-48(30-41)36-19-11-4-12-20-36/h1-30H,31-32H2.
What are the key properties of 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine?
4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine has a molecular weight of 654.81 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine is sourced from PubChem (CID 121441586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).