3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine

C196H133N9OS2 — CID 159457155

IUPAC3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(N(c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c5cccc6c5sc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4cccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)c4)c4cccc5sc6ccccc6c45)c3)c3ccccc23)cc1
InChIInChI=1S/C72H49N3S.C70H45N3OS.C54H39N3/c1-4-17-50(18-5-1)52-33-35-53(36-34-52)55-39-44-60(45-40-55)73(59-42-37-54(38-43-59)51-19-6-2-7-20-51)62-25-15-26-63(49-62)74(69-31-16-29-67-66-28-11-13-32-71(66)76-72(67)69)61-24-14-21-56(47-61)57-41-46-65-64-27-10-12-30-68(64)75(70(65)48-57)58-22-8-3-9-23-58;1-3-18-46(19-4-1)54-40-41-63(56-27-8-7-26-55(54)56)71(49-21-5-2-6-22-49)51-24-16-25-52(44-51)72(64-32-17-35-69-70(64)61-30-11-14-34-68(61)75-69)50-23-15-20-47(42-50)48-36-38-58-57-28-9-12-31-62(57)73(65(58)43-48)53-37-39-60-59-29-10-13-33-66(59)74-67(60)45-53;1-6-19-40(20-7-1)43-36-49(55(44-22-8-2-9-23-44)45-24-10-3-11-25-45)39-50(37-43)56(46-26-12-4-13-27-46)48-30-18-21-41(35-48)42-33-34-52-51-31-16-17-32-53(51)57(54(52)38-42)47-28-14-5-15-29-47/h1-49H;1-45H;1-39H
InChIKeyLUCWQXCHDPTKCN-UHFFFAOYSA-N
MW2694.42 g/mol
LogP56.29
Rot. Bonds29

About 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine

3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine (PubChem CID 159457155) has the molecular formula C196H133N9OS2 and a molecular weight of 2694.42 g/mol. Its IUPAC name is 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine
PubChem CID159457155
Molecular FormulaC196H133N9OS2
Molecular Weight2694.42 g/mol
Exact Mass2692.01
IUPAC Name3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(N(c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c5cccc6c5sc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4cccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)c4)c4cccc5sc6ccccc6c45)c3)c3ccccc23)cc1
InChIInChI=1S/C72H49N3S.C70H45N3OS.C54H39N3/c1-4-17-50(18-5-1)52-33-35-53(36-34-52)55-39-44-60(45-40-55)73(59-42-37-54(38-43-59)51-19-6-2-7-20-51)62-25-15-26-63(49-62)74(69-31-16-29-67-66-28-11-13-32-71(66)76-72(67)69)61-24-14-21-56(47-61)57-41-46-65-64-27-10-12-30-68(64)75(70(65)48-57)58-22-8-3-9-23-58;1-3-18-46(19-4-1)54-40-41-63(56-27-8-7-26-55(54)56)71(49-21-5-2-6-22-49)51-24-16-25-52(44-51)72(64-32-17-35-69-70(64)61-30-11-14-34-68(61)75-69)50-23-15-20-47(42-50)48-36-38-58-57-28-9-12-31-62(57)73(65(58)43-48)53-37-39-60-59-29-10-13-33-66(59)74-67(60)45-53;1-6-19-40(20-7-1)43-36-49(55(44-22-8-2-9-23-44)45-24-10-3-11-25-45)39-50(37-43)56(46-26-12-4-13-27-46)48-30-18-21-41(35-48)42-33-34-52-51-31-16-17-32-53(51)57(54(52)38-42)47-28-14-5-15-29-47/h1-49H;1-45H;1-39H
InChIKeyLUCWQXCHDPTKCN-UHFFFAOYSA-N
XLogP56.29
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002694.42
LogP ≤ 556.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814275
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
CID 161050530
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N,N-di(dibenzofuran-3-yl)-5,6-diphenylindolo[3,2-b][1,4]benzothiazin-2-amine;N-(3,5-diphenylphenyl)-N,5,6-triphenylindolo[3,2-b][1,4]benzothiazin-2-amine
CID 159682101
3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine
CID 159660047
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 147244332
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-dibenzofuran-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[8-(3,5-dichlorophenyl)dibenzothiophen-4-yl]-9-phenylcarbazol-2-amine;N-dibenzothiophen-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N,N-di(dibenzothiophen-2-yl)-8-(3,5-dichlorophenyl)dibenzothiophen-3-amine
CID 161347144

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine (CID 159457155) is 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine is c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(N(c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c5cccc6c5sc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(N(c4cccc(-c5ccc6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)c4)c4cccc5sc6ccccc6c45)c3)c3ccccc23)cc1.
What is the InChIKey of 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine?
The InChIKey is LUCWQXCHDPTKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3S.C70H45N3OS.C54H39N3/c1-4-17-50(18-5-1)52-33-35-53(36-34-52)55-39-44-60(45-40-55)73(59-42-37-54(38-43-59)51-19-6-2-7-20-51)62-25-15-26-63(49-62)74(69-31-16-29-67-66-28-11-13-32-71(66)76-72(67)69)61-24-14-21-56(47-61)57-41-46-65-64-27-10-12-30-68(64)75(70(65)48-57)58-22-8-3-9-23-58;1-3-18-46(19-4-1)54-40-41-63(56-27-8-7-26-55(54)56)71(49-21-5-2-6-22-49)51-24-16-25-52(44-51)72(64-32-17-35-69-70(64)61-30-11-14-34-68(61)75-69)50-23-15-20-47(42-50)48-36-38-58-57-28-9-12-31-62(57)73(65(58)43-48)53-37-39-60-59-29-10-13-33-66(59)74-67(60)45-53;1-6-19-40(20-7-1)43-36-49(55(44-22-8-2-9-23-44)45-24-10-3-11-25-45)39-50(37-43)56(46-26-12-4-13-27-46)48-30-18-21-41(35-48)42-33-34-52-51-31-16-17-32-53(51)57(54(52)38-42)47-28-14-5-15-29-47/h1-49H;1-45H;1-39H.
What are the key properties of 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine?
3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine has a molecular weight of 2694.42 g/mol, XLogP of 56.29, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-3-N-dibenzothiophen-1-yl-1-N-phenyl-1-N-(4-phenylnaphthalen-1-yl)benzene-1,3-diamine;3-N-dibenzothiophen-4-yl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)-1-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,5-tetraphenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,3-diamine is sourced from PubChem (CID 159457155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).