N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine

C54H33NO2S — CID 168805429

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5cccc6sc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-2-11-35(12-3-1)41-16-8-17-42-45-33-37(27-32-48(45)57-54(41)42)34-23-28-38(29-24-34)55(46-18-10-22-51-53(46)44-14-5-7-21-50(44)58-51)39-30-25-36(26-31-39)40-15-9-20-49-52(40)43-13-4-6-19-47(43)56-49/h1-33H
InChIKeyNHSFQIMWIFPHJA-UHFFFAOYSA-N
MW759.93 g/mol
LogP16.32
Rot. Bonds6

About N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine

N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 168805429) has the molecular formula C54H33NO2S and a molecular weight of 759.93 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
PubChem CID168805429
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5cccc6sc7ccccc7c56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-2-11-35(12-3-1)41-16-8-17-42-45-33-37(27-32-48(45)57-54(41)42)34-23-28-38(29-24-34)55(46-18-10-22-51-53(46)44-14-5-7-21-50(44)58-51)39-30-25-36(26-31-39)40-15-9-20-49-52(40)43-13-4-6-19-47(43)56-49/h1-33H
InChIKeyNHSFQIMWIFPHJA-UHFFFAOYSA-N
XLogP16.32
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-phenanthren-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805268
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168804546
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-9-amine
CID 168805258
N-dibenzothiophen-2-yl-4-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168804753
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168805047
N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 170123749
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 164835646
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine (CID 168805429) is N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5cccc6sc7ccccc7c56)cc4)cc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is NHSFQIMWIFPHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-2-11-35(12-3-1)41-16-8-17-42-45-33-37(27-32-48(45)57-54(41)42)34-23-28-38(29-24-34)55(46-18-10-22-51-53(46)44-14-5-7-21-50(44)58-51)39-30-25-36(26-31-39)40-15-9-20-49-52(40)43-13-4-6-19-47(43)56-49/h1-33H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 759.93 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 168805429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).