N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine

C54H33NO2S — CID 167397285

IUPACN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-3-13-35(14-4-1)39-18-9-20-43-46-33-37(29-32-50(46)56-51(39)43)34-27-30-38(31-28-34)55(47-24-11-21-42-41-17-7-8-26-49(41)57-52(42)47)48-25-12-23-45-44-22-10-19-40(53(44)58-54(45)48)36-15-5-2-6-16-36/h1-33H
InChIKeyRBHGGLWWCMVLQI-UHFFFAOYSA-N
MW759.93 g/mol
LogP16.32
Rot. Bonds6

About N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine (PubChem CID 167397285) has the molecular formula C54H33NO2S and a molecular weight of 759.93 g/mol. Its IUPAC name is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
PubChem CID167397285
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-3-13-35(14-4-1)39-18-9-20-43-46-33-37(29-32-50(46)56-51(39)43)34-27-30-38(31-28-34)55(47-24-11-21-42-41-17-7-8-26-49(41)57-52(42)47)48-25-12-23-45-44-22-10-19-40(53(44)58-54(45)48)36-15-5-2-6-16-36/h1-33H
InChIKeyRBHGGLWWCMVLQI-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-(6-phenyldibenzothiophen-4-yl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397269
N-(4-dibenzofuran-2-ylphenyl)-6-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 167396586
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 168804932
N-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160742850

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine (CID 167397285) is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6c5sc5c(-c7ccccc7)cccc56)cc4)cc23)cc1.
What is the InChIKey of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
The InChIKey is RBHGGLWWCMVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-3-13-35(14-4-1)39-18-9-20-43-46-33-37(29-32-50(46)56-51(39)43)34-27-30-38(31-28-34)55(47-24-11-21-42-41-17-7-8-26-49(41)57-52(42)47)48-25-12-23-45-44-22-10-19-40(53(44)58-54(45)48)36-15-5-2-6-16-36/h1-33H.
What are the key properties of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine?
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-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-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine is sourced from PubChem (CID 167397285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).