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

C49H34N2O — CID 121441987

IUPAC10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)CN(c3ccccc3)Cc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H34N2O/c1-4-12-33(13-5-1)46-29-39(30-47(50-46)34-14-6-2-7-15-34)35-22-24-42-40(26-35)32-51(41-16-8-3-9-17-41)31-38-21-20-36(27-44(38)42)37-23-25-49-45(28-37)43-18-10-11-19-48(43)52-49/h1-30H,31-32H2
InChIKeyMVFASXIZMSEYSZ-UHFFFAOYSA-N
MW666.82 g/mol
LogP12.84
Rot. Bonds5

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

10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine (PubChem CID 121441987) has the molecular formula C49H34N2O and a molecular weight of 666.82 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
PubChem CID121441987
Molecular FormulaC49H34N2O
Molecular Weight666.82 g/mol
Exact Mass666.27
IUPAC Name10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)CN(c3ccccc3)Cc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C49H34N2O/c1-4-12-33(13-5-1)46-29-39(30-47(50-46)34-14-6-2-7-15-34)35-22-24-42-40(26-35)32-51(41-16-8-3-9-17-41)31-38-21-20-36(27-44(38)42)37-23-25-49-45(28-37)43-18-10-11-19-48(43)52-49/h1-30H,31-32H2
InChIKeyMVFASXIZMSEYSZ-UHFFFAOYSA-N
XLogP12.84
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121442011
4-(10-dibenzofuran-2-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)-2,6-diphenylpyridine
CID 121441625
9-(3-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-10-yl)carbazole-3-carbonitrile
CID 121443276
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
9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile
CID 121443091
10-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441671
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
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
10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121442006
4-[3-(2,6-diphenyl-4-pyridinyl)-5,7-dihydrobenzo[d][2]benzoxepin-10-yl]-2,6-diphenylpyridine
CID 121441586
9-[4-[6-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3-dibenzofuran-2-yl-5-(9H-fluoren-3-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 164988858
2,4-bis[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyridine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyridine;4-[4-[4-(7-fluoro-9H-fluoren-3-yl)phenyl]phenyl]-2-(4-naphthalen-1-ylphenyl)-6-phenylpyridine
CID 158868174

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The IUPAC name of 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine (CID 121441987) is 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine.
What is the SMILES notation for 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The canonical SMILES for 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine is c1ccc(-c2cc(-c3ccc4c(c3)CN(c3ccccc3)Cc3ccc(-c5ccc6oc7ccccc7c6c5)cc3-4)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The InChIKey is MVFASXIZMSEYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O/c1-4-12-33(13-5-1)46-29-39(30-47(50-46)34-14-6-2-7-15-34)35-22-24-42-40(26-35)32-51(41-16-8-3-9-17-41)31-38-21-20-36(27-44(38)42)37-23-25-49-45(28-37)43-18-10-11-19-48(43)52-49/h1-30H,31-32H2.
What are the key properties of 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine has a molecular weight of 666.82 g/mol, XLogP of 12.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine is sourced from PubChem (CID 121441987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).