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

C124H79N3O2S4 — CID 159845485

IUPACN-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc2c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cccc2c1
InChIInChI=1S/C48H31NOS.C40H25NOS.C36H23NS2/c1-3-11-32(12-4-1)36-27-37(33-13-5-2-6-14-33)29-40(28-36)49(39-24-25-42-41-15-7-9-17-45(41)50-46(42)31-39)38-22-19-34(20-23-38)35-21-26-48-44(30-35)43-16-8-10-18-47(43)51-48;1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-22-33-32-11-3-5-14-37(32)42-38(33)25-30)29-19-16-26(17-20-29)28-18-23-40-35(24-28)34-12-4-6-15-39(34)43-40;1-2-8-26(9-3-1)37(28-19-20-31-29-10-4-6-12-33(29)39-36(31)23-28)27-17-14-24(15-18-27)25-16-21-35-32(22-25)30-11-5-7-13-34(30)38-35/h1-31H;1-25H;1-23H
InChIKeyNPFWUZYLUCKZGY-UHFFFAOYSA-N
MW1771.28 g/mol
LogP38.23
Rot. Bonds14

About 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

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 (PubChem CID 159845485) has the molecular formula C124H79N3O2S4 and a molecular weight of 1771.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159845485
Molecular FormulaC124H79N3O2S4
Molecular Weight1771.28 g/mol
Exact Mass1769.51
IUPAC NameN-(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
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc2c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cccc2c1
InChIInChI=1S/C48H31NOS.C40H25NOS.C36H23NS2/c1-3-11-32(12-4-1)36-27-37(33-13-5-2-6-14-33)29-40(28-36)49(39-24-25-42-41-15-7-9-17-45(41)50-46(42)31-39)38-22-19-34(20-23-38)35-21-26-48-44(30-35)43-16-8-10-18-47(43)51-48;1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-22-33-32-11-3-5-14-37(32)42-38(33)25-30)29-19-16-26(17-20-29)28-18-23-40-35(24-28)34-12-4-6-15-39(34)43-40;1-2-8-26(9-3-1)37(28-19-20-31-29-10-4-6-12-33(29)39-36(31)23-28)27-17-14-24(15-18-27)25-16-21-35-32(22-25)30-11-5-7-13-34(30)38-35/h1-31H;1-25H;1-23H
InChIKeyNPFWUZYLUCKZGY-UHFFFAOYSA-N
XLogP38.23
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001771.28
LogP ≤ 538.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

8-dibenzofuran-2-yl-N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine;8-dibenzofuran-2-yl-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine;8-dibenzothiophen-2-yl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161143692
bis(4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 158888724
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 121383327
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 121383334
2-N-dibenzofuran-3-yl-1-N-naphthalen-1-yl-1-N-phenyl-2-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;2-N-naphthalen-1-yl-1-N,2-N-diphenyl-1-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,2-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]benzene-1,3-diamine
CID 157356012
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
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-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-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.c1ccc(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc3c(c2)sc2ccccc23)cc1.c1ccc2c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)oc3ccccc34)cccc2c1.
What is the InChIKey of 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?
The InChIKey is NPFWUZYLUCKZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS.C40H25NOS.C36H23NS2/c1-3-11-32(12-4-1)36-27-37(33-13-5-2-6-14-33)29-40(28-36)49(39-24-25-42-41-15-7-9-17-45(41)50-46(42)31-39)38-22-19-34(20-23-38)35-21-26-48-44(30-35)43-16-8-10-18-47(43)51-48;1-2-10-31-27(8-1)9-7-13-36(31)41(30-21-22-33-32-11-3-5-14-37(32)42-38(33)25-30)29-19-16-26(17-20-29)28-18-23-40-35(24-28)34-12-4-6-15-39(34)43-40;1-2-8-26(9-3-1)37(28-19-20-31-29-10-4-6-12-33(29)39-36(31)23-28)27-17-14-24(15-18-27)25-16-21-35-32(22-25)30-11-5-7-13-34(30)38-35/h1-31H;1-25H;1-23H.
What are the key properties of 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?
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 has a molecular weight of 1771.28 g/mol, XLogP of 38.23, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159845485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).