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

C189H122N6O5S4 — CID 158012265

IUPAC1-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
SMILESCC1(C)c2ccccc2-c2cc(N(c3cc(-c4cc(-c5ccccc5)c5sc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)c3ccc4oc5ccccc5c4c3)ccc21.c1ccc(-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(N(c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C69H46N2O2S.C66H42N2OS2.C54H34N2O2S/c1-69(2)61-25-13-9-21-52(61)57-40-47(29-32-62(57)69)71(49-31-34-66-59(42-49)54-23-11-15-27-64(54)73-66)51-36-44(45-37-56(43-17-5-3-6-18-43)68-60(38-45)55-24-12-16-28-67(55)74-68)35-50(39-51)70(46-19-7-4-8-20-46)48-30-33-65-58(41-48)53-22-10-14-26-63(53)72-65;1-3-13-43(14-4-1)45-23-28-49(29-24-45)67(51-32-34-56-55-17-7-10-20-61(55)69-62(56)41-51)53-37-48(47-27-36-65-60(39-47)58-19-9-12-22-64(58)70-65)38-54(40-53)68(50-30-25-46(26-31-50)44-15-5-2-6-16-44)52-33-35-59-57-18-8-11-21-63(57)71-66(59)42-52;1-3-13-37(14-4-1)55(39-24-26-45-43-17-7-10-20-49(43)57-51(45)33-39)41-29-36(35-23-28-54-48(31-35)47-19-9-12-22-53(47)59-54)30-42(32-41)56(38-15-5-2-6-16-38)40-25-27-46-44-18-8-11-21-50(44)58-52(46)34-40/h3-42H,1-2H3;1-42H;1-34H
InChIKeyFFAPCPFZDPQCMH-UHFFFAOYSA-N
MW2685.36 g/mol
LogP57.16
Rot. Bonds24

About 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

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 (PubChem CID 158012265) has the molecular formula C189H122N6O5S4 and a molecular weight of 2685.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158012265
Molecular FormulaC189H122N6O5S4
Molecular Weight2685.36 g/mol
Exact Mass2682.84
IUPAC Name1-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
SMILESCC1(C)c2ccccc2-c2cc(N(c3cc(-c4cc(-c5ccccc5)c5sc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)c3ccc4oc5ccccc5c4c3)ccc21.c1ccc(-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(N(c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C69H46N2O2S.C66H42N2OS2.C54H34N2O2S/c1-69(2)61-25-13-9-21-52(61)57-40-47(29-32-62(57)69)71(49-31-34-66-59(42-49)54-23-11-15-27-64(54)73-66)51-36-44(45-37-56(43-17-5-3-6-18-43)68-60(38-45)55-24-12-16-28-67(55)74-68)35-50(39-51)70(46-19-7-4-8-20-46)48-30-33-65-58(41-48)53-22-10-14-26-63(53)72-65;1-3-13-43(14-4-1)45-23-28-49(29-24-45)67(51-32-34-56-55-17-7-10-20-61(55)69-62(56)41-51)53-37-48(47-27-36-65-60(39-47)58-19-9-12-22-64(58)70-65)38-54(40-53)68(50-30-25-46(26-31-50)44-15-5-2-6-16-44)52-33-35-59-57-18-8-11-21-63(57)71-66(59)42-52;1-3-13-37(14-4-1)55(39-24-26-45-43-17-7-10-20-49(43)57-51(45)33-39)41-29-36(35-23-28-54-48(31-35)47-19-9-12-22-53(47)59-54)30-42(32-41)56(38-15-5-2-6-16-38)40-25-27-46-44-18-8-11-21-50(44)58-52(46)34-40/h3-42H,1-2H3;1-42H;1-34H
InChIKeyFFAPCPFZDPQCMH-UHFFFAOYSA-N
XLogP57.16
TPSA85.14 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002685.36
LogP ≤ 557.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
N-[4-(4-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 140919493
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
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-(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
4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 162033020
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
N-[4-(4-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;4-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 157081816
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
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745
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-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3,5-diphenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 159251847

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(N(c3cc(-c4cc(-c5ccccc5)c5sc6ccccc6c5c4)cc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3)c3ccc4oc5ccccc5c4c3)ccc21.c1ccc(-c2ccc(N(c3cc(-c4ccc5sc6ccccc6c5c4)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)sc4ccccc45)c3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(N(c2cc(-c3ccc4sc5ccccc5c4c3)cc(N(c3ccccc3)c3ccc4c(c3)oc3ccccc34)c2)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is FFAPCPFZDPQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2O2S.C66H42N2OS2.C54H34N2O2S/c1-69(2)61-25-13-9-21-52(61)57-40-47(29-32-62(57)69)71(49-31-34-66-59(42-49)54-23-11-15-27-64(54)73-66)51-36-44(45-37-56(43-17-5-3-6-18-43)68-60(38-45)55-24-12-16-28-67(55)74-68)35-50(39-51)70(46-19-7-4-8-20-46)48-30-33-65-58(41-48)53-22-10-14-26-63(53)72-65;1-3-13-43(14-4-1)45-23-28-49(29-24-45)67(51-32-34-56-55-17-7-10-20-61(55)69-62(56)41-51)53-37-48(47-27-36-65-60(39-47)58-19-9-12-22-64(58)70-65)38-54(40-53)68(50-30-25-46(26-31-50)44-15-5-2-6-16-44)52-33-35-59-57-18-8-11-21-63(57)71-66(59)42-52;1-3-13-37(14-4-1)55(39-24-26-45-43-17-7-10-20-49(43)57-51(45)33-39)41-29-36(35-23-28-54-48(31-35)47-19-9-12-22-53(47)59-54)30-42(32-41)56(38-15-5-2-6-16-38)40-25-27-46-44-18-8-11-21-50(44)58-52(46)34-40/h3-42H,1-2H3;1-42H;1-34H.
What are the key properties of 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?
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 has a molecular weight of 2685.36 g/mol, XLogP of 57.16, 24 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158012265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).