N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

C46H29NO2 — CID 171435129

IUPACN-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4c(-c5ccccc5)ccc5c4oc4ccccc45)c4cccc5oc6ccccc6c45)ccc3c2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)32-22-23-34-29-35(25-24-33(34)28-32)47(40-18-11-21-43-44(40)39-17-8-10-20-42(39)48-43)45-36(31-14-5-2-6-15-31)26-27-38-37-16-7-9-19-41(37)49-46(38)45/h1-29H
InChIKeyNUQAKTKEVUBCPE-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 171435129) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
PubChem CID171435129
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4c(-c5ccccc5)ccc5c4oc4ccccc45)c4cccc5oc6ccccc6c45)ccc3c2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)32-22-23-34-29-35(25-24-33(34)28-32)47(40-18-11-21-43-44(40)39-17-8-10-20-42(39)48-43)45-36(31-14-5-2-6-15-31)26-27-38-37-16-7-9-19-41(37)49-46(38)45/h1-29H
InChIKeyNUQAKTKEVUBCPE-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine
CID 171434849
N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435306
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171434679
N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine
CID 171435455
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-dibenzofuran-4-yl-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397315
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435530
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N,3-di(dibenzofuran-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171435380

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (CID 171435129) is N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is c1ccc(-c2ccc3cc(N(c4c(-c5ccccc5)ccc5c4oc4ccccc45)c4cccc5oc6ccccc6c45)ccc3c2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The InChIKey is NUQAKTKEVUBCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-12-30(13-4-1)32-22-23-34-29-35(25-24-33(34)28-32)47(40-18-11-21-43-44(40)39-17-8-10-20-42(39)48-43)45-36(31-14-5-2-6-15-31)26-27-38-37-16-7-9-19-41(37)49-46(38)45/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 171435129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).