N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine

C48H29NO2S — CID 167396991

IUPACN-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5oc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C48H29NO2S/c1-2-12-30(13-3-1)33-16-8-18-36-37-19-10-22-41(47(37)51-46(33)36)49(40-21-11-24-43-45(40)39-15-4-6-23-42(39)50-43)32-28-26-31(27-29-32)34-17-9-20-38-35-14-5-7-25-44(35)52-48(34)38/h1-29H
InChIKeyRMHQHXKOFSFDDH-UHFFFAOYSA-N
MW683.83 g/mol
LogP14.66
Rot. Bonds5

About N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine

N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine (PubChem CID 167396991) has the molecular formula C48H29NO2S and a molecular weight of 683.83 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
PubChem CID167396991
Molecular FormulaC48H29NO2S
Molecular Weight683.83 g/mol
Exact Mass683.19
IUPAC NameN-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5oc6ccccc6c45)cccc23)cc1
InChIInChI=1S/C48H29NO2S/c1-2-12-30(13-3-1)33-16-8-18-36-37-19-10-22-41(47(37)51-46(33)36)49(40-21-11-24-43-45(40)39-15-4-6-23-42(39)50-43)32-28-26-31(27-29-32)34-17-9-20-38-35-14-5-7-25-44(35)52-48(34)38/h1-29H
InChIKeyRMHQHXKOFSFDDH-UHFFFAOYSA-N
XLogP14.66
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.83
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-amine
CID 167397291
N-(4-dibenzothiophen-4-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397298
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,5-diphenylphenyl)dibenzofuran-1-amine
CID 155186941
N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396254
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
N-dibenzothiophen-4-yl-N-(4-dibenzothiophen-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396325
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine (CID 167396991) is N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2c(N(c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4cccc5oc6ccccc6c45)cccc23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
The InChIKey is RMHQHXKOFSFDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2S/c1-2-12-30(13-3-1)33-16-8-18-36-37-19-10-22-41(47(37)51-46(33)36)49(40-21-11-24-43-45(40)39-15-4-6-23-42(39)50-43)32-28-26-31(27-29-32)34-17-9-20-38-35-14-5-7-25-44(35)52-48(34)38/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine?
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine has a molecular weight of 683.83 g/mol, XLogP of 14.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)-6-phenyldibenzofuran-4-amine is sourced from PubChem (CID 167396991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).