2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine

C142H95N7OS3 — CID 157283089

IUPAC2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3sc4ccc(N(c5ccccc5)c5cc(-c6ccc7c8c(N(c9ccccc9)c9ccccc9)cccc8n(-c8ccccc8)c7c6)cc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C76H50N4OS.C66H45N3S2/c1-6-22-54(23-7-1)77(59-38-42-73-65(48-59)63-33-18-19-36-72(63)81-73)60-39-43-74-66(49-60)67-50-61(40-44-75(67)82-74)79(57-28-12-4-13-29-57)70-47-53(45-52-21-16-17-32-62(52)70)51-37-41-64-71(46-51)80(58-30-14-5-15-31-58)69-35-20-34-68(76(64)69)78(55-24-8-2-9-25-55)56-26-10-3-11-27-56;1-6-16-50(17-7-1)67(55-32-26-46(27-33-55)48-30-38-63-59(42-48)61-44-57(36-40-65(61)70-63)68(51-18-8-2-9-19-51)52-20-10-3-11-21-52)56-34-28-47(29-35-56)49-31-39-64-60(43-49)62-45-58(37-41-66(62)71-64)69(53-22-12-4-13-23-53)54-24-14-5-15-25-54/h1-50H;1-45H
InChIKeyAZXFVWUKTCEQLI-UHFFFAOYSA-N
MW2011.57 g/mol
LogP42.45
Rot. Bonds22

About 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine

2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine (PubChem CID 157283089) has the molecular formula C142H95N7OS3 and a molecular weight of 2011.57 g/mol. Its IUPAC name is 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound Name2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine
PubChem CID157283089
Molecular FormulaC142H95N7OS3
Molecular Weight2011.57 g/mol
Exact Mass2009.68
IUPAC Name2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3sc4ccc(N(c5ccccc5)c5cc(-c6ccc7c8c(N(c9ccccc9)c9ccccc9)cccc8n(-c8ccccc8)c7c6)cc6ccccc56)cc4c3c2)cc1
InChIInChI=1S/C76H50N4OS.C66H45N3S2/c1-6-22-54(23-7-1)77(59-38-42-73-65(48-59)63-33-18-19-36-72(63)81-73)60-39-43-74-66(49-60)67-50-61(40-44-75(67)82-74)79(57-28-12-4-13-29-57)70-47-53(45-52-21-16-17-32-62(52)70)51-37-41-64-71(46-51)80(58-30-14-5-15-31-58)69-35-20-34-68(76(64)69)78(55-24-8-2-9-25-55)56-26-10-3-11-27-56;1-6-16-50(17-7-1)67(55-32-26-46(27-33-55)48-30-38-63-59(42-48)61-44-57(36-40-65(61)70-63)68(51-18-8-2-9-19-51)52-20-10-3-11-21-52)56-34-28-47(29-35-56)49-31-39-64-60(43-49)62-45-58(37-41-66(62)71-64)69(53-22-12-4-13-23-53)54-24-14-5-15-25-54/h1-50H;1-45H
InChIKeyAZXFVWUKTCEQLI-UHFFFAOYSA-N
XLogP42.45
TPSA37.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002011.57
LogP ≤ 542.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine with MolForge

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Related Compounds

N-[3-[2-[3-[dibenzofuran-2-yl(naphthalen-2-yl)amino]phenyl]phenyl]phenyl]-N-naphthalen-2-yldibenzofuran-2-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[3-[3-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[3-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165072526
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
N-naphthalen-1-yl-8-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]naphthalen-1-amine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-(N-(6-phenyldibenzofuran-3-yl)anilino)phenyl]benzene-1,3-diamine
CID 158069740
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-dibenzofuran-2-yl-N-[4-(24-dibenzofuran-2-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-[4-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]dibenzothiophen-2-amine;N-[4-[20,24-di(dibenzofuran-2-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18(23),19,21,26-dodecaen-6-yl]phenyl]-N,4-diphenylaniline;N,N-diphenyl-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)aniline;N,N-diphenyl-4-[3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)phenyl]aniline
CID 160712701
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
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
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
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 158890240
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
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine?
The IUPAC name of 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine (CID 157283089) is 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine is c1ccc(N(c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)c2ccc(-c3ccc4sc5ccc(N(c6ccccc6)c6ccccc6)cc5c4c3)cc2)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3sc4ccc(N(c5ccccc5)c5cc(-c6ccc7c8c(N(c9ccccc9)c9ccccc9)cccc8n(-c8ccccc8)c7c6)cc6ccccc56)cc4c3c2)cc1.
What is the InChIKey of 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine?
The InChIKey is AZXFVWUKTCEQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4OS.C66H45N3S2/c1-6-22-54(23-7-1)77(59-38-42-73-65(48-59)63-33-18-19-36-72(63)81-73)60-39-43-74-66(49-60)67-50-61(40-44-75(67)82-74)79(57-28-12-4-13-29-57)70-47-53(45-52-21-16-17-32-62(52)70)51-37-41-64-71(46-51)80(58-30-14-5-15-31-58)69-35-20-34-68(76(64)69)78(55-24-8-2-9-25-55)56-26-10-3-11-27-56;1-6-16-50(17-7-1)67(55-32-26-46(27-33-55)48-30-38-63-59(42-48)61-44-57(36-40-65(61)70-63)68(51-18-8-2-9-19-51)52-20-10-3-11-21-52)56-34-28-47(29-35-56)49-31-39-64-60(43-49)62-45-58(37-41-66(62)71-64)69(53-22-12-4-13-23-53)54-24-14-5-15-25-54/h1-50H;1-45H.
What are the key properties of 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine?
2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine has a molecular weight of 2011.57 g/mol, XLogP of 42.45, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-dibenzofuran-2-yl-2-N,8-N-diphenyl-8-N-[3-[9-phenyl-5-(N-phenylanilino)carbazol-2-yl]naphthalen-1-yl]dibenzothiophene-2,8-diamine;N,N-diphenyl-8-[4-(N-[4-[8-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]anilino)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 157283089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).