10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine

C48H33N3O — CID 121442006

IUPAC10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESc1ccc(N2Cc3ccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc3-c3cc(-c4cccc5c4oc4ccccc45)ccc3C2)cc1
InChIInChI=1S/C48H33N3O/c1-2-11-41(12-3-1)51-30-36-19-17-32(38-23-39(34-9-7-21-49-28-34)25-40(24-38)35-10-8-22-50-29-35)26-45(36)46-27-33(18-20-37(46)31-51)42-14-6-15-44-43-13-4-5-16-47(43)52-48(42)44/h1-29H,30-31H2
InChIKeyCCAGYWYTZMZTBP-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.23
Rot. Bonds5

About 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine

10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine (PubChem CID 121442006) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine.

Molecular Properties

Compound Name10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
PubChem CID121442006
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESc1ccc(N2Cc3ccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc3-c3cc(-c4cccc5c4oc4ccccc45)ccc3C2)cc1
InChIInChI=1S/C48H33N3O/c1-2-11-41(12-3-1)51-30-36-19-17-32(38-23-39(34-9-7-21-49-28-34)25-40(24-38)35-10-8-22-50-29-35)26-45(36)46-27-33(18-20-37(46)31-51)42-14-6-15-44-43-13-4-5-16-47(43)52-48(42)44/h1-29H,30-31H2
InChIKeyCCAGYWYTZMZTBP-UHFFFAOYSA-N
XLogP12.23
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine with MolForge

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Related Compounds

3-[3-(3-dibenzofuran-4-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-10-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441841
10-dibenzofuran-4-yl-2-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzoxepine
CID 121441600
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-2-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441507
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154949955
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 155235089
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
3-[3-(10-dibenzofuran-1-yl-5,7-dihydrobenzo[d][2]benzoxepin-3-yl)-5-pyridin-3-ylphenyl]pyridine
CID 121441577
4-(10-dibenzofuran-4-yl-5,7-dihydrobenzo[d][2]benzothiepin-3-yl)-2,6-diphenylpyridine;9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]carbazole;9-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-3-isocyanocarbazole;4-[3-(3,5-dipyridin-3-ylphenyl)-5,7-dihydrobenzo[d][2]benzothiepin-10-yl]-2,6-diphenylpyridine
CID 158170779
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
11-(3-dibenzofuran-4-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575296

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The IUPAC name of 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine (CID 121442006) is 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine.
What is the SMILES notation for 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The canonical SMILES for 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine is c1ccc(N2Cc3ccc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc3-c3cc(-c4cccc5c4oc4ccccc45)ccc3C2)cc1.
What is the InChIKey of 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The InChIKey is CCAGYWYTZMZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-2-11-41(12-3-1)51-30-36-19-17-32(38-23-39(34-9-7-21-49-28-34)25-40(24-38)35-10-8-22-50-29-35)26-45(36)46-27-33(18-20-37(46)31-51)42-14-6-15-44-43-13-4-5-16-47(43)52-48(42)44/h1-29H,30-31H2.
What are the key properties of 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine has a molecular weight of 667.81 g/mol, XLogP of 12.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine is sourced from PubChem (CID 121442006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).