N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine

C46H29NO2 — CID 171434822

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-32(12-3-1)37-26-27-41(46-45(37)40-15-7-9-17-43(40)49-46)47(36-24-20-30-10-4-5-13-33(30)28-36)35-22-18-31(19-23-35)34-21-25-39-38-14-6-8-16-42(38)48-44(39)29-34/h1-29H
InChIKeyCLADXSITNIDQNL-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine

N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine (PubChem CID 171434822) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
PubChem CID171434822
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C46H29NO2/c1-2-11-32(12-3-1)37-26-27-41(46-45(37)40-15-7-9-17-43(40)49-46)47(36-24-20-30-10-4-5-13-33(30)28-36)35-22-18-31(19-23-35)34-21-25-39-38-14-6-8-16-42(38)48-44(39)29-34/h1-29H
InChIKeyCLADXSITNIDQNL-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-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434660
N,N-bis(4-dibenzofuran-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434862
N-(4-dibenzofuran-3-ylphenyl)-N-phenanthren-2-yl-4-phenyldibenzofuran-1-amine
CID 176820992
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-(4-dibenzofuran-2-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171434963
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435491
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435415
N-naphthalen-2-yl-N-phenyl-1-[4-(3-phenylquinoxalin-2-yl)phenyl]dibenzofuran-4-amine
CID 169048415
N-phenanthren-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-1-amine
CID 176821213
N-phenanthren-3-yl-1-(4-phenyldibenzofuran-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 176820600

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine (CID 171434822) is N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc4ccccc4c3)c3oc4ccccc4c23)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine?
The InChIKey is CLADXSITNIDQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-2-11-32(12-3-1)37-26-27-41(46-45(37)40-15-7-9-17-43(40)49-46)47(36-24-20-30-10-4-5-13-33(30)28-36)35-22-18-31(19-23-35)34-21-25-39-38-14-6-8-16-42(38)48-44(39)29-34/h1-29H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-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-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171434822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).