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

C192H126N6S9 — CID 161015507

IUPAC1-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc21.c1ccc(-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(N(c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C72H50N2S3.C66H42N2S3.C54H34N2S3/c1-71(2)61-20-10-5-15-51(61)53-30-26-47(41-63(53)71)73(45-28-33-69-59(39-45)56-18-8-13-23-66(56)76-69)49-35-44(43-25-32-68-58(37-43)55-17-7-12-22-65(55)75-68)36-50(38-49)74(46-29-34-70-60(40-46)57-19-9-14-24-67(57)77-70)48-27-31-54-52-16-6-11-21-62(52)72(3,4)64(54)42-48;1-3-13-43(14-4-1)45-23-28-49(29-24-45)67(51-32-35-65-59(41-51)56-18-8-11-21-62(56)70-65)53-37-48(47-27-34-64-58(39-47)55-17-7-10-20-61(55)69-64)38-54(40-53)68(50-30-25-46(26-31-50)44-15-5-2-6-16-44)52-33-36-66-60(42-52)57-19-9-12-22-63(57)71-66;1-3-13-37(14-4-1)55(39-25-28-53-48(33-39)45-19-9-12-22-51(45)58-53)41-29-36(35-23-27-52-47(31-35)44-18-8-11-21-50(44)57-52)30-42(32-41)56(38-15-5-2-6-16-38)40-24-26-46-43-17-7-10-20-49(43)59-54(46)34-40/h5-42H,1-4H3;1-42H;1-34H
InChIKeyTXRADUXSQMOWAZ-UHFFFAOYSA-N
MW2805.76 g/mol
LogP60.14
Rot. Bonds23

About 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

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 (PubChem CID 161015507) has the molecular formula C192H126N6S9 and a molecular weight of 2805.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID161015507
Molecular FormulaC192H126N6S9
Molecular Weight2805.76 g/mol
Exact Mass2802.75
IUPAC Name1-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc21.c1ccc(-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(N(c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C72H50N2S3.C66H42N2S3.C54H34N2S3/c1-71(2)61-20-10-5-15-51(61)53-30-26-47(41-63(53)71)73(45-28-33-69-59(39-45)56-18-8-13-23-66(56)76-69)49-35-44(43-25-32-68-58(37-43)55-17-7-12-22-65(55)75-68)36-50(38-49)74(46-29-34-70-60(40-46)57-19-9-14-24-67(57)77-70)48-27-31-54-52-16-6-11-21-62(52)72(3,4)64(54)42-48;1-3-13-43(14-4-1)45-23-28-49(29-24-45)67(51-32-35-65-59(41-51)56-18-8-11-21-62(56)70-65)53-37-48(47-27-34-64-58(39-47)55-17-7-10-20-61(55)69-64)38-54(40-53)68(50-30-25-46(26-31-50)44-15-5-2-6-16-44)52-33-36-66-60(42-52)57-19-9-12-22-63(57)71-66;1-3-13-37(14-4-1)55(39-25-28-53-48(33-39)45-19-9-12-22-51(45)58-53)41-29-36(35-23-27-52-47(31-35)44-18-8-11-21-50(44)57-52)30-42(32-41)56(38-15-5-2-6-16-38)40-24-26-46-43-17-7-10-20-49(43)59-54(46)34-40/h5-42H,1-4H3;1-42H;1-34H
InChIKeyTXRADUXSQMOWAZ-UHFFFAOYSA-N
XLogP60.14
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002805.76
LogP ≤ 560.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 122634190
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
CID 118405888
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
7-N-dibenzothiophen-2-yl-2-N,2-N,7-N,9-tetraphenyldibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-(9,9-dimethylfluoren-3-yl)-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 158900066
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
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
2-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-dibenzothiophen-2-yldibenzothiophen-3-yl)phenyl]-N,4-diphenylaniline;N-[4-(2-dibenzothiophen-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-dibenzothiophen-2-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;2-dibenzothiophen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 163755516
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
1-N-(9,9-dimethylfluoren-2-yl)-3-N-(3,5-diphenylphenyl)-5-[3-(3-naphtho[1,2-b][1]benzothiol-8-ylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122634341

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc21.c1ccc(-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)c3)c3ccc4sc5ccccc5c4c3)cc2)cc1.c1ccc(N(c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is TXRADUXSQMOWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2S3.C66H42N2S3.C54H34N2S3/c1-71(2)61-20-10-5-15-51(61)53-30-26-47(41-63(53)71)73(45-28-33-69-59(39-45)56-18-8-13-23-66(56)76-69)49-35-44(43-25-32-68-58(37-43)55-17-7-12-22-65(55)75-68)36-50(38-49)74(46-29-34-70-60(40-46)57-19-9-14-24-67(57)77-70)48-27-31-54-52-16-6-11-21-62(52)72(3,4)64(54)42-48;1-3-13-43(14-4-1)45-23-28-49(29-24-45)67(51-32-35-65-59(41-51)56-18-8-11-21-62(56)70-65)53-37-48(47-27-34-64-58(39-47)55-17-7-10-20-61(55)69-64)38-54(40-53)68(50-30-25-46(26-31-50)44-15-5-2-6-16-44)52-33-36-66-60(42-52)57-19-9-12-22-63(57)71-66;1-3-13-37(14-4-1)55(39-25-28-53-48(33-39)45-19-9-12-22-51(45)58-53)41-29-36(35-23-27-52-47(31-35)44-18-8-11-21-50(44)57-52)30-42(32-41)56(38-15-5-2-6-16-38)40-24-26-46-43-17-7-10-20-49(43)59-54(46)34-40/h5-42H,1-4H3;1-42H;1-34H.
What are the key properties of 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?
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 has a molecular weight of 2805.76 g/mol, XLogP of 60.14, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161015507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).