1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C66H43N3OS2 — CID 118605120

IUPAC1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C66H43N3OS2/c1-4-17-45(18-5-1)67(48-33-31-44(32-34-48)54-26-16-27-58-56-24-11-15-30-64(56)72-66(54)58)51-39-52(68(46-19-6-2-7-20-46)49-35-37-62-59(42-49)55-23-10-13-28-61(55)70-62)41-53(40-51)69(47-21-8-3-9-22-47)50-36-38-65-60(43-50)57-25-12-14-29-63(57)71-65/h1-43H
InChIKeyPPXMGUVAMKPVKT-UHFFFAOYSA-N
MW958.22 g/mol
LogP20.40
Rot. Bonds10

About 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 118605120) has the molecular formula C66H43N3OS2 and a molecular weight of 958.22 g/mol. Its IUPAC name is 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID118605120
Molecular FormulaC66H43N3OS2
Molecular Weight958.22 g/mol
Exact Mass957.28
IUPAC Name1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C66H43N3OS2/c1-4-17-45(18-5-1)67(48-33-31-44(32-34-48)54-26-16-27-58-56-24-11-15-30-64(56)72-66(54)58)51-39-52(68(46-19-6-2-7-20-46)49-35-37-62-59(42-49)55-23-10-13-28-61(55)70-62)41-53(40-51)69(47-21-8-3-9-22-47)50-36-38-65-60(43-50)57-25-12-14-29-63(57)71-65/h1-43H
InChIKeyPPXMGUVAMKPVKT-UHFFFAOYSA-N
XLogP20.40
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.22
LogP ≤ 520.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
3-N-dibenzothiophen-2-yl-1-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605050
N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine
CID 129194386
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
5-N-(4-dibenzothiophen-2-ylphenyl)-1-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605064
N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 165015995
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
5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122551974
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601

Frequently Asked Questions

What is the IUPAC name of 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 118605120) is 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cc(N(c3ccccc3)c3ccc4oc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is PPXMGUVAMKPVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3OS2/c1-4-17-45(18-5-1)67(48-33-31-44(32-34-48)54-26-16-27-58-56-24-11-15-30-64(56)72-66(54)58)51-39-52(68(46-19-6-2-7-20-46)49-35-37-62-59(42-49)55-23-10-13-28-61(55)70-62)41-53(40-51)69(47-21-8-3-9-22-47)50-36-38-65-60(43-50)57-25-12-14-29-63(57)71-65/h1-43H.
What are the key properties of 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 958.22 g/mol, XLogP of 20.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 118605120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).