5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

C179H118N6O4S3 — CID 159702533

IUPAC5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(N(c3ccccc3)c3ccc4c(c3)sc3cc5ccccc5cc34)c2)c2ccc3c(c2)sc2cc4ccccc4cc23)cc1
InChIInChI=1S/C63H44N2O2.C62H38N2OS2.C54H36N2OS/c1-63(2)57-25-12-9-22-51(57)55-39-47(29-32-58(55)63)65(46-21-15-18-42(34-46)41-16-5-3-6-17-41)50-36-44(43-28-31-54-52-23-10-13-26-59(52)67-62(54)37-43)35-49(38-50)64(45-19-7-4-8-20-45)48-30-33-61-56(40-48)53-24-11-14-27-60(53)66-61;1-3-17-45(18-4-1)63(47-24-27-53-55-31-39-13-7-9-15-41(39)34-59(55)66-61(53)37-47)49-29-44(43-23-26-52-51-21-11-12-22-57(51)65-58(52)33-43)30-50(36-49)64(46-19-5-2-6-20-46)48-25-28-54-56-32-40-14-8-10-16-42(40)35-60(56)67-62(54)38-48;1-4-14-37(15-5-1)38-24-27-43(28-25-38)55(41-16-6-2-7-17-41)45-32-40(39-26-30-48-47-20-10-12-22-51(47)57-52(48)34-39)33-46(35-45)56(42-18-8-3-9-19-42)44-29-31-50-49-21-11-13-23-53(49)58-54(50)36-44/h3-40H,1-2H3;1-38H;1-36H
InChIKeyMXUNAXLYJSQTKE-UHFFFAOYSA-N
MW2513.15 g/mol
LogP53.53
Rot. Bonds23

About 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine

5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 159702533) has the molecular formula C179H118N6O4S3 and a molecular weight of 2513.15 g/mol. Its IUPAC name is 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID159702533
Molecular FormulaC179H118N6O4S3
Molecular Weight2513.15 g/mol
Exact Mass2510.84
IUPAC Name5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(N(c3ccccc3)c3ccc4c(c3)sc3cc5ccccc5cc34)c2)c2ccc3c(c2)sc2cc4ccccc4cc23)cc1
InChIInChI=1S/C63H44N2O2.C62H38N2OS2.C54H36N2OS/c1-63(2)57-25-12-9-22-51(57)55-39-47(29-32-58(55)63)65(46-21-15-18-42(34-46)41-16-5-3-6-17-41)50-36-44(43-28-31-54-52-23-10-13-26-59(52)67-62(54)37-43)35-49(38-50)64(45-19-7-4-8-20-45)48-30-33-61-56(40-48)53-24-11-14-27-60(53)66-61;1-3-17-45(18-4-1)63(47-24-27-53-55-31-39-13-7-9-15-41(39)34-59(55)66-61(53)37-47)49-29-44(43-23-26-52-51-21-11-12-22-57(51)65-58(52)33-43)30-50(36-49)64(46-19-5-2-6-20-46)48-25-28-54-56-32-40-14-8-10-16-42(40)35-60(56)67-62(54)38-48;1-4-14-37(15-5-1)38-24-27-43(28-25-38)55(41-16-6-2-7-17-41)45-32-40(39-26-30-48-47-20-10-12-22-51(47)57-52(48)34-39)33-46(35-45)56(42-18-8-3-9-19-42)44-29-31-50-49-21-11-13-23-53(49)58-54(50)36-44/h3-40H,1-2H3;1-38H;1-36H
InChIKeyMXUNAXLYJSQTKE-UHFFFAOYSA-N
XLogP53.53
TPSA72.00 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002513.15
LogP ≤ 553.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

1-N-dibenzofuran-3-yl-5-dibenzothiophen-2-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-di(dibenzofuran-3-yl)-5-dibenzothiophen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-di(dibenzofuran-2-yl)-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-5-(4-phenyldibenzothiophen-2-yl)benzene-1,3-diamine
CID 158012265
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 161474432
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine;N-(3-dibenzofuran-3-ylphenyl)-7-[2-[2-[4-(4-dibenzothiophen-2-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-2-amine;N-dibenzothiophen-2-yl-7-[4-(4-dibenzothiophen-2-yl-N-dibenzothiophen-3-ylanilino)-3-(3-phenylphenyl)phenyl]-N-phenyldibenzofuran-1-amine
CID 167602152
5-bromo-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine
CID 122552103
3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-5-naphtho[2,3-b][1]benzothiol-3-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552061
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418
N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine;9,9-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(3-phenylphenyl)fluoren-3-amine
CID 165064992
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 168839480
7-N-[8-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-(4-phenylphenyl)-7-N-[8-(N-(4-phenylphenyl)anilino)dibenzothiophen-3-yl]dibenzothiophene-2,7-diamine
CID 157158501
N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
17-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050121

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 159702533) is 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccccc4)c3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)ccc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc(N(c4ccccc4)c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)oc3ccccc34)cc(N(c3ccccc3)c3ccc4c(c3)sc3cc5ccccc5cc34)c2)c2ccc3c(c2)sc2cc4ccccc4cc23)cc1.
What is the InChIKey of 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is MXUNAXLYJSQTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2O2.C62H38N2OS2.C54H36N2OS/c1-63(2)57-25-12-9-22-51(57)55-39-47(29-32-58(55)63)65(46-21-15-18-42(34-46)41-16-5-3-6-17-41)50-36-44(43-28-31-54-52-23-10-13-26-59(52)67-62(54)37-43)35-49(38-50)64(45-19-7-4-8-20-45)48-30-33-61-56(40-48)53-24-11-14-27-60(53)66-61;1-3-17-45(18-4-1)63(47-24-27-53-55-31-39-13-7-9-15-41(39)34-59(55)66-61(53)37-47)49-29-44(43-23-26-52-51-21-11-12-22-57(51)65-58(52)33-43)30-50(36-49)64(46-19-5-2-6-20-46)48-25-28-54-56-32-40-14-8-10-16-42(40)35-60(56)67-62(54)38-48;1-4-14-37(15-5-1)38-24-27-43(28-25-38)55(41-16-6-2-7-17-41)45-32-40(39-26-30-48-47-20-10-12-22-51(47)57-52(48)34-39)33-46(35-45)56(42-18-8-3-9-19-42)44-29-31-50-49-21-11-13-23-53(49)58-54(50)36-44/h3-40H,1-2H3;1-38H;1-36H.
What are the key properties of 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine?
5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 2513.15 g/mol, XLogP of 53.53, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-3-yl-1-N,3-N-bis(naphtho[2,3-b][1]benzothiol-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-dibenzofuran-3-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-phenyl-3-N-(3-phenylphenyl)benzene-1,3-diamine;5-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 159702533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).