3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine

C132H90N6OS3 — CID 161050530

IUPAC3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3cc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cccc34)c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C66H45N3OS.C66H45N3S2/c1-5-19-46(20-6-1)48-21-17-28-54(43-48)69(55-40-41-57-58-30-18-33-62(66(58)71-65(57)45-55)68(51-24-9-3-10-25-51)52-26-11-4-12-27-52)61-32-15-14-31-60(61)67(50-22-7-2-8-23-50)53-38-35-47(36-39-53)49-37-42-64-59(44-49)56-29-13-16-34-63(56)70-64;1-6-19-46(20-7-1)47-33-35-52(36-34-47)69(56-37-39-59-58-31-16-17-32-62(58)70-63(59)45-56)61-42-41-57(48-21-8-2-9-22-48)65-60-40-38-55(44-64(60)71-66(61)65)68(51-27-14-5-15-28-51)54-30-18-29-53(43-54)67(49-23-10-3-11-24-49)50-25-12-4-13-26-50/h2*1-45H
InChIKeyUCBRNGQHBPVGNX-UHFFFAOYSA-N
MW1872.41 g/mol
LogP39.86
Rot. Bonds22

About 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine

3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine (PubChem CID 161050530) has the molecular formula C132H90N6OS3 and a molecular weight of 1872.41 g/mol. Its IUPAC name is 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine.

Molecular Properties

Compound Name3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
PubChem CID161050530
Molecular FormulaC132H90N6OS3
Molecular Weight1872.41 g/mol
Exact Mass1870.63
IUPAC Name3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3cc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cccc34)c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2)cc1
InChIInChI=1S/C66H45N3OS.C66H45N3S2/c1-5-19-46(20-6-1)48-21-17-28-54(43-48)69(55-40-41-57-58-30-18-33-62(66(58)71-65(57)45-55)68(51-24-9-3-10-25-51)52-26-11-4-12-27-52)61-32-15-14-31-60(61)67(50-22-7-2-8-23-50)53-38-35-47(36-39-53)49-37-42-64-59(44-49)56-29-13-16-34-63(56)70-64;1-6-19-46(20-7-1)47-33-35-52(36-34-47)69(56-37-39-59-58-31-16-17-32-62(58)70-63(59)45-56)61-42-41-57(48-21-8-2-9-22-48)65-60-40-38-55(44-64(60)71-66(61)65)68(51-27-14-5-15-28-51)54-30-18-29-53(43-54)67(49-23-10-3-11-24-49)50-25-12-4-13-26-50/h2*1-45H
InChIKeyUCBRNGQHBPVGNX-UHFFFAOYSA-N
XLogP39.86
TPSA32.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001872.41
LogP ≤ 539.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine with MolForge

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Related Compounds

N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983
N-(4-dibenzofuran-3-ylphenyl)-N,1-diphenyldibenzothiophen-4-amine
CID 171435391
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-(4-dibenzothiophen-3-ylphenyl)-1-phenyl-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 171434495
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
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-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
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-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
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

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine?
The IUPAC name of 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine (CID 161050530) is 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine.
What is the SMILES notation for 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine?
The canonical SMILES for 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3cc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)ccc34)cc2)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)sc3c(N(c5ccccc5)c5ccccc5)cccc34)c3ccccc3N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c2)cc1.
What is the InChIKey of 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine?
The InChIKey is UCBRNGQHBPVGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3OS.C66H45N3S2/c1-5-19-46(20-6-1)48-21-17-28-54(43-48)69(55-40-41-57-58-30-18-33-62(66(58)71-65(57)45-55)68(51-24-9-3-10-25-51)52-26-11-4-12-27-52)61-32-15-14-31-60(61)67(50-22-7-2-8-23-50)53-38-35-47(36-39-53)49-37-42-64-59(44-49)56-29-13-16-34-63(56)70-64;1-6-19-46(20-7-1)47-33-35-52(36-34-47)69(56-37-39-59-58-31-16-17-32-62(58)70-63(59)45-56)61-42-41-57(48-21-8-2-9-22-48)65-60-40-38-55(44-64(60)71-66(61)65)68(51-27-14-5-15-28-51)54-30-18-29-53(43-54)67(49-23-10-3-11-24-49)50-25-12-4-13-26-50/h2*1-45H.
What are the key properties of 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine?
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine has a molecular weight of 1872.41 g/mol, XLogP of 39.86, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine is sourced from PubChem (CID 161050530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).