N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine

C157H105N3OS6 — CID 162178782

IUPACN,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C57H37NS3.C51H35NOS.C49H33NS2/c1-57(2)48-31-29-38(33-47(48)53-49(57)32-30-46-43-13-5-8-20-52(43)61-56(46)53)58(36-25-21-34(22-26-36)39-14-9-16-44-41-11-3-6-18-50(41)59-54(39)44)37-27-23-35(24-28-37)40-15-10-17-45-42-12-4-7-19-51(42)60-55(40)45;1-51(2)44-29-27-37(31-43(44)48-45(51)30-28-42-40-14-7-9-18-47(40)54-50(42)48)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41;1-49(2)41-27-25-33(29-40(41)46-42(49)28-26-39-37-15-6-8-20-45(37)52-48(39)46)50(43-18-9-12-30-11-3-4-13-34(30)43)32-23-21-31(22-24-32)35-16-10-17-38-36-14-5-7-19-44(36)51-47(35)38/h3-33H,1-2H3;3-31H,1-2H3;3-29H,1-2H3
InChIKeyZOSYPAKQJBUVTL-UHFFFAOYSA-N
MW2241.99 g/mol
LogP47.98
Rot. Bonds14

About N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine

N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine (PubChem CID 162178782) has the molecular formula C157H105N3OS6 and a molecular weight of 2241.99 g/mol. Its IUPAC name is N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
PubChem CID162178782
Molecular FormulaC157H105N3OS6
Molecular Weight2241.99 g/mol
Exact Mass2239.66
IUPAC NameN,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2-c2c1ccc1c2sc2ccccc21
InChIInChI=1S/C57H37NS3.C51H35NOS.C49H33NS2/c1-57(2)48-31-29-38(33-47(48)53-49(57)32-30-46-43-13-5-8-20-52(43)61-56(46)53)58(36-25-21-34(22-26-36)39-14-9-16-44-41-11-3-6-18-50(41)59-54(39)44)37-27-23-35(24-28-37)40-15-10-17-45-42-12-4-7-19-51(42)60-55(40)45;1-51(2)44-29-27-37(31-43(44)48-45(51)30-28-42-40-14-7-9-18-47(40)54-50(42)48)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41;1-49(2)41-27-25-33(29-40(41)46-42(49)28-26-39-37-15-6-8-20-45(37)52-48(39)46)50(43-18-9-12-30-11-3-4-13-34(30)43)32-23-21-31(22-24-32)35-16-10-17-38-36-14-5-7-19-44(36)51-47(35)38/h3-33H,1-2H3;3-31H,1-2H3;3-29H,1-2H3
InChIKeyZOSYPAKQJBUVTL-UHFFFAOYSA-N
XLogP47.98
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002241.99
LogP ≤ 547.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405381
7,7-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine
CID 118405294
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-amine
CID 166503502
N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 159258852
N,N-bis(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-amine;N-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 158046690
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-diphenylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenylaniline
CID 158521504
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733
N-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159250991
3-N-(4-dibenzofuran-4-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine;5-N-(4-dibenzofuran-4-ylphenyl)-5-N-phenyl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine;3-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N-triphenyl-1-N,5-N-bis[4-(4-phenylphenyl)phenyl]benzene-1,3,5-triamine;3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,5-N-bis(3-methylphenyl)-3-N-naphthalen-1-yl-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 157265511
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
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine;7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine;7,7-diphenyl-N,N-bis(4-phenylphenyl)fluoreno[5,6-b][1]benzothiol-9-amine
CID 160730060
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine?
The IUPAC name of N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine (CID 162178782) is N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine.
What is the SMILES notation for N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine?
The canonical SMILES for N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine is CC1(C)c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cccc4ccccc34)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2-c2c1ccc1c2sc2ccccc21.
What is the InChIKey of N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine?
The InChIKey is ZOSYPAKQJBUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NS3.C51H35NOS.C49H33NS2/c1-57(2)48-31-29-38(33-47(48)53-49(57)32-30-46-43-13-5-8-20-52(43)61-56(46)53)58(36-25-21-34(22-26-36)39-14-9-16-44-41-11-3-6-18-50(41)59-54(39)44)37-27-23-35(24-28-37)40-15-10-17-45-42-12-4-7-19-51(42)60-55(40)45;1-51(2)44-29-27-37(31-43(44)48-45(51)30-28-42-40-14-7-9-18-47(40)54-50(42)48)52(35-23-19-33(20-24-35)32-11-4-3-5-12-32)36-25-21-34(22-26-36)38-15-10-16-41-39-13-6-8-17-46(39)53-49(38)41;1-49(2)41-27-25-33(29-40(41)46-42(49)28-26-39-37-15-6-8-20-45(37)52-48(39)46)50(43-18-9-12-30-11-3-4-13-34(30)43)32-23-21-31(22-24-32)35-16-10-17-38-36-14-5-7-19-44(36)51-47(35)38/h3-33H,1-2H3;3-31H,1-2H3;3-29H,1-2H3.
What are the key properties of N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine?
N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine has a molecular weight of 2241.99 g/mol, XLogP of 47.98, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzothiol-10-amine;N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-N-naphthalen-1-ylfluoreno[4,3-b][1]benzothiol-10-amine is sourced from PubChem (CID 162178782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).