N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine

C72H47N3OS2 — CID 129194386

IUPACN-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3sc3ccc(N(c5ccccc5)c5ccc6sc7c(-c8ccc(N(c9ccccc9)c9ccc%10c(c9)oc9ccccc9%10)cc8)cccc7c6c5)cc34)cc2)cc1
InChIInChI=1S/C72H47N3OS2/c1-5-17-50(18-6-1)73(51-19-7-2-8-20-51)54-35-31-48(32-36-54)59-26-15-28-63-65-45-56(40-43-69(65)77-71(59)63)75(53-23-11-4-12-24-53)57-41-44-70-66(46-57)64-29-16-27-60(72(64)78-70)49-33-37-55(38-34-49)74(52-21-9-3-10-22-52)58-39-42-62-61-25-13-14-30-67(61)76-68(62)47-58/h1-47H
InChIKeyNPGNSWQZXYVKDL-UHFFFAOYSA-N
MW1034.32 g/mol
LogP22.07
Rot. Bonds11

About N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine

N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine (PubChem CID 129194386) has the molecular formula C72H47N3OS2 and a molecular weight of 1034.32 g/mol. Its IUPAC name is N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine
PubChem CID129194386
Molecular FormulaC72H47N3OS2
Molecular Weight1034.32 g/mol
Exact Mass1033.32
IUPAC NameN-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3sc3ccc(N(c5ccccc5)c5ccc6sc7c(-c8ccc(N(c9ccccc9)c9ccc%10c(c9)oc9ccccc9%10)cc8)cccc7c6c5)cc34)cc2)cc1
InChIInChI=1S/C72H47N3OS2/c1-5-17-50(18-6-1)73(51-19-7-2-8-20-51)54-35-31-48(32-36-54)59-26-15-28-63-65-45-56(40-43-69(65)77-71(59)63)75(53-23-11-4-12-24-53)57-41-44-70-66(46-57)64-29-16-27-60(72(64)78-70)49-33-37-55(38-34-49)74(52-21-9-3-10-22-52)58-39-42-62-61-25-13-14-30-67(61)76-68(62)47-58/h1-47H
InChIKeyNPGNSWQZXYVKDL-UHFFFAOYSA-N
XLogP22.07
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001034.32
LogP ≤ 522.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

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
N-dibenzofuran-3-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164988844
N,N-bis(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N,N-bis(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-3-amine;N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-3-amine
CID 165033470
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
7-N-dibenzofuran-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N-(4-naphthalen-1-ylphenyl)-2-N-phenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-4-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 167608369
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
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-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-dibenzofuran-3-yl-N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 153300507

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine (CID 129194386) is N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine is c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3sc3ccc(N(c5ccccc5)c5ccc6sc7c(-c8ccc(N(c9ccccc9)c9ccc%10c(c9)oc9ccccc9%10)cc8)cccc7c6c5)cc34)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is NPGNSWQZXYVKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N3OS2/c1-5-17-50(18-6-1)73(51-19-7-2-8-20-51)54-35-31-48(32-36-54)59-26-15-28-63-65-45-56(40-43-69(65)77-71(59)63)75(53-23-11-4-12-24-53)57-41-44-70-66(46-57)64-29-16-27-60(72(64)78-70)49-33-37-55(38-34-49)74(52-21-9-3-10-22-52)58-39-42-62-61-25-13-14-30-67(61)76-68(62)47-58/h1-47H.
What are the key properties of N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine has a molecular weight of 1034.32 g/mol, XLogP of 22.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 129194386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).