7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine

C158H108N6OS3 — CID 160698351

IUPAC7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c2)cc1.c1ccc(-c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccc(N(c6ccccc6)c6ccccc6)cc45)ccc2C3)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C4)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc34)c2)cc1
InChIInChI=1S/C55H38N2S.C54H36N2OS.C49H34N2S/c1-4-14-38(15-5-1)40-19-12-23-45(33-40)56(44-21-8-3-9-22-44)48-29-31-54-53(36-48)51-30-28-49(37-55(51)58-54)57(46-24-13-20-41(34-46)39-16-6-2-7-17-39)47-27-26-43-32-42-18-10-11-25-50(42)52(43)35-47;1-5-15-37(16-6-1)39-31-40(38-17-7-2-8-18-38)33-46(32-39)56(44-25-28-48-47-23-13-14-24-51(47)57-52(48)35-44)45-26-29-49-50-34-43(27-30-53(50)58-54(49)36-45)55(41-19-9-3-10-20-41)42-21-11-4-12-22-42;1-5-13-34(14-6-1)35-21-22-36-29-37-23-24-41(31-46(37)45(36)30-35)51(40-19-11-4-12-20-40)43-25-27-44-47-32-42(26-28-48(47)52-49(44)33-43)50(38-15-7-2-8-16-38)39-17-9-3-10-18-39/h1-31,33-37H,32H2;1-36H;1-28,30-33H,29H2
InChIKeyRQHAENSIRYZCJA-UHFFFAOYSA-N
MW2202.84 g/mol
LogP46.36
Rot. Bonds23

About 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine

7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine (PubChem CID 160698351) has the molecular formula C158H108N6OS3 and a molecular weight of 2202.84 g/mol. Its IUPAC name is 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine
PubChem CID160698351
Molecular FormulaC158H108N6OS3
Molecular Weight2202.84 g/mol
Exact Mass2200.77
IUPAC Name7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c2)cc1.c1ccc(-c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccc(N(c6ccccc6)c6ccccc6)cc45)ccc2C3)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C4)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc34)c2)cc1
InChIInChI=1S/C55H38N2S.C54H36N2OS.C49H34N2S/c1-4-14-38(15-5-1)40-19-12-23-45(33-40)56(44-21-8-3-9-22-44)48-29-31-54-53(36-48)51-30-28-49(37-55(51)58-54)57(46-24-13-20-41(34-46)39-16-6-2-7-17-39)47-27-26-43-32-42-18-10-11-25-50(42)52(43)35-47;1-5-15-37(16-6-1)39-31-40(38-17-7-2-8-18-38)33-46(32-39)56(44-25-28-48-47-23-13-14-24-51(47)57-52(48)35-44)45-26-29-49-50-34-43(27-30-53(50)58-54(49)36-45)55(41-19-9-3-10-20-41)42-21-11-4-12-22-42;1-5-13-34(14-6-1)35-21-22-36-29-37-23-24-41(31-46(37)45(36)30-35)51(40-19-11-4-12-20-40)43-25-27-44-47-32-42(26-28-48(47)52-49(44)33-43)50(38-15-7-2-8-16-38)39-17-9-3-10-18-39/h1-31,33-37H,32H2;1-36H;1-28,30-33H,29H2
InChIKeyRQHAENSIRYZCJA-UHFFFAOYSA-N
XLogP46.36
TPSA32.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002202.84
LogP ≤ 546.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine with MolForge

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Related Compounds

2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)
CID 159318160
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
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
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
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-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
4-[7-(3-dibenzofuran-3-ylphenyl)dibenzothiophen-2-yl]-N,N-diphenylaniline
CID 90076355
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine (CID 160698351) is 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c2)cc1.c1ccc(-c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccc5c(c4)sc4ccc(N(c6ccccc6)c6ccccc6)cc45)ccc2C3)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)-c3ccccc3C4)c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)cc34)c2)cc1.
What is the InChIKey of 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine?
The InChIKey is RQHAENSIRYZCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2S.C54H36N2OS.C49H34N2S/c1-4-14-38(15-5-1)40-19-12-23-45(33-40)56(44-21-8-3-9-22-44)48-29-31-54-53(36-48)51-30-28-49(37-55(51)58-54)57(46-24-13-20-41(34-46)39-16-6-2-7-17-39)47-27-26-43-32-42-18-10-11-25-50(42)52(43)35-47;1-5-15-37(16-6-1)39-31-40(38-17-7-2-8-18-38)33-46(32-39)56(44-25-28-48-47-23-13-14-24-51(47)57-52(48)35-44)45-26-29-49-50-34-43(27-30-53(50)58-54(49)36-45)55(41-19-9-3-10-20-41)42-21-11-4-12-22-42;1-5-13-34(14-6-1)35-21-22-36-29-37-23-24-41(31-46(37)45(36)30-35)51(40-19-11-4-12-20-40)43-25-27-44-47-32-42(26-28-48(47)52-49(44)33-43)50(38-15-7-2-8-16-38)39-17-9-3-10-18-39/h1-31,33-37H,32H2;1-36H;1-28,30-33H,29H2.
What are the key properties of 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine?
7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine has a molecular weight of 2202.84 g/mol, XLogP of 46.36, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-3-yl-7-N-(3,5-diphenylphenyl)-2-N,2-N-diphenyldibenzothiophene-2,7-diamine;7-N-(9H-fluoren-3-yl)-2-N-phenyl-2-N,7-N-bis(3-phenylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N,7-N-triphenyl-7-N-(6-phenyl-9H-fluoren-3-yl)dibenzothiophene-2,7-diamine is sourced from PubChem (CID 160698351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).