10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine

C44H29NO2 — CID 121442011

IUPAC10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESc1ccc(N2Cc3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3C2)cc1
InChIInChI=1S/C44H29NO2/c1-2-8-34(9-3-1)45-26-32-16-14-28(30-19-21-43-40(24-30)36-11-5-7-13-42(36)46-43)22-38(32)39-23-29(15-17-33(39)27-45)31-18-20-37-35-10-4-6-12-41(35)47-44(37)25-31/h1-25H,26-27H2
InChIKeyYZTDTJMZJUCUTM-UHFFFAOYSA-N
MW603.72 g/mol
LogP12.01
Rot. Bonds3

About 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine

10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine (PubChem CID 121442011) has the molecular formula C44H29NO2 and a molecular weight of 603.72 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
PubChem CID121442011
Molecular FormulaC44H29NO2
Molecular Weight603.72 g/mol
Exact Mass603.22
IUPAC Name10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
SMILESc1ccc(N2Cc3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3C2)cc1
InChIInChI=1S/C44H29NO2/c1-2-8-34(9-3-1)45-26-32-16-14-28(30-19-21-43-40(24-30)36-11-5-7-13-42(36)46-43)22-38(32)39-23-29(15-17-33(39)27-45)31-18-20-37-35-10-4-6-12-41(35)47-44(37)25-31/h1-25H,26-27H2
InChIKeyYZTDTJMZJUCUTM-UHFFFAOYSA-N
XLogP12.01
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.72
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine with MolForge

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Related Compounds

10-dibenzofuran-2-yl-3-(2,6-diphenyl-4-pyridinyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121441987
9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile
CID 121443091
9-(3-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-10-yl)carbazole-3-carbonitrile
CID 121443276
2,10-di(dibenzofuran-2-yl)-5,7-dihydrobenzo[d][2]benzothiepine 6,6-dioxide
CID 121441711
10-dibenzofuran-4-yl-2-(3,5-dipyridin-3-ylphenyl)-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine
CID 121442006
2-(2,6,7-triphenyl-9H-fluoren-3-yl)dibenzofuran
CID 158711757
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[8-[4-(9H-fluoren-3-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597292
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2,10-bis(3-phenylphenyl)-7H-fluoreno[2,3-b][1]benzofuran
CID 129231087
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The IUPAC name of 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine (CID 121442011) is 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine.
What is the SMILES notation for 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The canonical SMILES for 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine is c1ccc(N2Cc3ccc(-c4ccc5c(c4)oc4ccccc45)cc3-c3cc(-c4ccc5oc6ccccc6c5c4)ccc3C2)cc1.
What is the InChIKey of 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
The InChIKey is YZTDTJMZJUCUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO2/c1-2-8-34(9-3-1)45-26-32-16-14-28(30-19-21-43-40(24-30)36-11-5-7-13-42(36)46-43)22-38(32)39-23-29(15-17-33(39)27-45)31-18-20-37-35-10-4-6-12-41(35)47-44(37)25-31/h1-25H,26-27H2.
What are the key properties of 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine?
10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine has a molecular weight of 603.72 g/mol, XLogP of 12.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-2-yl-2-dibenzofuran-3-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepine is sourced from PubChem (CID 121442011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).