N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine

C54H33NO2S — CID 168805153

IUPACN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6c(c5)sc5c(-c7ccccc7)cccc56)c5ccc6oc7ccccc7c6c5)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-3-11-35(12-4-1)41-16-9-18-45-47-31-37(23-29-51(47)57-53(41)45)34-21-24-38(25-22-34)55(39-27-30-50-48(32-39)43-15-7-8-20-49(43)56-50)40-26-28-44-46-19-10-17-42(36-13-5-2-6-14-36)54(46)58-52(44)33-40/h1-33H
InChIKeyBDOJJACGEPENSI-UHFFFAOYSA-N
MW759.93 g/mol
LogP16.32
Rot. Bonds6

About N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine (PubChem CID 168805153) 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-3-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
PubChem CID168805153
Molecular FormulaC54H33NO2S
Molecular Weight759.93 g/mol
Exact Mass759.22
IUPAC NameN-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6c(c5)sc5c(-c7ccccc7)cccc56)c5ccc6oc7ccccc7c6c5)cc4)cc23)cc1
InChIInChI=1S/C54H33NO2S/c1-3-11-35(12-4-1)41-16-9-18-45-47-31-37(23-29-51(47)57-53(41)45)34-21-24-38(25-22-34)55(39-27-30-50-48(32-39)43-15-7-8-20-49(43)56-50)40-26-28-44-46-19-10-17-42(36-13-5-2-6-14-36)54(46)58-52(44)33-40/h1-33H
InChIKeyBDOJJACGEPENSI-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-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]aniline
CID 159600768
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]triphenylen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
CID 157196864

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine?
The IUPAC name of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine (CID 168805153) is N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc6c(c5)sc5c(-c7ccccc7)cccc56)c5ccc6oc7ccccc7c6c5)cc4)cc23)cc1.
What is the InChIKey of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine?
The InChIKey is BDOJJACGEPENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2S/c1-3-11-35(12-4-1)41-16-9-18-45-47-31-37(23-29-51(47)57-53(41)45)34-21-24-38(25-22-34)55(39-27-30-50-48(32-39)43-15-7-8-20-49(43)56-50)40-26-28-44-46-19-10-17-42(36-13-5-2-6-14-36)54(46)58-52(44)33-40/h1-33H.
What are the key properties of N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine?
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-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-3-yl)dibenzofuran-2-amine is sourced from PubChem (CID 168805153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).