2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine

C143H91N7O3S5 — CID 157139341

IUPAC2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccnc6)cc5)c5ccc6sc7ccccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C48H30N2O2S.C48H30N2OS2.C47H31N3S2/c1-3-11-31(12-4-1)49(32-13-5-2-6-14-32)36-19-23-39-42-29-35(22-26-47(42)53-48(39)30-36)50(33-20-24-45-40(27-33)37-15-7-9-17-43(37)51-45)34-21-25-46-41(28-34)38-16-8-10-18-44(38)52-46;1-3-11-31(12-4-1)49(35-19-23-38-37-15-7-9-17-43(37)51-44(38)29-35)33-22-26-47-42(28-33)40-24-20-36(30-48(40)53-47)50(32-13-5-2-6-14-32)34-21-25-46-41(27-34)39-16-8-10-18-45(39)52-46;1-3-11-34(12-4-1)49(35-13-5-2-6-14-35)37-22-26-46-43(28-37)41-24-21-39(30-47(41)52-46)50(36-19-17-32(18-20-36)33-10-9-27-48-31-33)38-23-25-45-42(29-38)40-15-7-8-16-44(40)51-45/h2*1-30H;1-31H
InChIKeyAJZVXNDMBJFDGR-UHFFFAOYSA-N
MW2115.68 g/mol
LogP44.48
Rot. Bonds19

About 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine

2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine (PubChem CID 157139341) has the molecular formula C143H91N7O3S5 and a molecular weight of 2115.68 g/mol. Its IUPAC name is 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
PubChem CID157139341
Molecular FormulaC143H91N7O3S5
Molecular Weight2115.68 g/mol
Exact Mass2113.58
IUPAC Name2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccnc6)cc5)c5ccc6sc7ccccc7c6c5)ccc4c3c2)cc1
InChIInChI=1S/C48H30N2O2S.C48H30N2OS2.C47H31N3S2/c1-3-11-31(12-4-1)49(32-13-5-2-6-14-32)36-19-23-39-42-29-35(22-26-47(42)53-48(39)30-36)50(33-20-24-45-40(27-33)37-15-7-9-17-43(37)51-45)34-21-25-46-41(28-34)38-16-8-10-18-44(38)52-46;1-3-11-31(12-4-1)49(35-19-23-38-37-15-7-9-17-43(37)51-44(38)29-35)33-22-26-47-42(28-33)40-24-20-36(30-48(40)53-47)50(32-13-5-2-6-14-32)34-21-25-46-41(27-34)39-16-8-10-18-45(39)52-46;1-3-11-34(12-4-1)49(35-13-5-2-6-14-35)37-22-26-46-43(28-37)41-24-21-39(30-47(41)52-46)50(36-19-17-32(18-20-36)33-10-9-27-48-31-33)38-23-25-45-42(29-38)40-15-7-8-16-44(40)51-45/h2*1-30H;1-31H
InChIKeyAJZVXNDMBJFDGR-UHFFFAOYSA-N
XLogP44.48
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.68
LogP ≤ 544.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine with MolForge

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Related Compounds

N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
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
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine
CID 163557559

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
The IUPAC name of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine (CID 157139341) is 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine.
What is the SMILES notation for 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
The canonical SMILES for 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine is c1ccc(N(c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc23)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccccc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4cc(N(c5ccc(-c6cccnc6)cc5)c5ccc6sc7ccccc7c6c5)ccc4c3c2)cc1.
What is the InChIKey of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
The InChIKey is AJZVXNDMBJFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2S.C48H30N2OS2.C47H31N3S2/c1-3-11-31(12-4-1)49(32-13-5-2-6-14-32)36-19-23-39-42-29-35(22-26-47(42)53-48(39)30-36)50(33-20-24-45-40(27-33)37-15-7-9-17-43(37)51-45)34-21-25-46-41(28-34)38-16-8-10-18-44(38)52-46;1-3-11-31(12-4-1)49(35-19-23-38-37-15-7-9-17-43(37)51-44(38)29-35)33-22-26-47-42(28-33)40-24-20-36(30-48(40)53-47)50(32-13-5-2-6-14-32)34-21-25-46-41(27-34)39-16-8-10-18-45(39)52-46;1-3-11-34(12-4-1)49(35-13-5-2-6-14-35)37-22-26-46-43(28-37)41-24-21-39(30-47(41)52-46)50(36-19-17-32(18-20-36)33-10-9-27-48-31-33)38-23-25-45-42(29-38)40-15-7-8-16-44(40)51-45/h2*1-30H;1-31H.
What are the key properties of 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine?
2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine has a molecular weight of 2115.68 g/mol, XLogP of 44.48, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine is sourced from PubChem (CID 157139341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).