4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

C187H142N8O10S — CID 157230486

IUPAC4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(CC3(Cc4ccc(C)cc4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.COC(=O)c1ccc(C(=O)Oc2ccc(CC3(Cc4ccc(C)cc4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(CC4(Cc5ccc(C)cc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc54)cc3)cc2)cc1
InChIInChI=1S/C65H52N2O4S.C61H46N4O2.C61H44N2O4/c1-47-23-25-48(26-24-47)45-65(46-49-27-31-57(32-28-49)71-58-35-39-60(40-36-58)72(68,69)59-37-33-56(70-2)34-38-59)63-43-54(66(50-15-7-3-8-16-50)51-17-9-4-10-18-51)29-41-61(63)62-42-30-55(44-64(62)65)67(52-19-11-5-12-20-52)53-21-13-6-14-22-53;1-39-19-21-40(22-20-39)37-61(38-41-23-29-44(30-24-41)63-60(67)43-27-25-42(26-28-43)59(66)62-2)53-35-45(64-55-15-7-3-11-49(55)50-12-4-8-16-56(50)64)31-33-47(53)48-34-32-46(36-54(48)61)65-57-17-9-5-13-51(57)52-14-6-10-18-58(52)65;1-39-19-21-40(22-20-39)37-61(38-41-23-31-46(32-24-41)67-60(65)43-27-25-42(26-28-43)59(64)66-2)53-35-44(62-55-15-7-3-11-49(55)50-12-4-8-16-56(50)62)29-33-47(53)48-34-30-45(36-54(48)61)63-57-17-9-5-13-51(57)52-14-6-10-18-58(52)63/h3-44H,45-46H2,1-2H3;3-36H,37-38H2,1-2H3,(H,62,66)(H,63,67);3-36H,37-38H2,1-2H3
InChIKeyAUAUFPFTIFXVLD-UHFFFAOYSA-N
MW2693.31 g/mol
LogP43.82
Rot. Bonds33

About 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (PubChem CID 157230486) has the molecular formula C187H142N8O10S and a molecular weight of 2693.31 g/mol. Its IUPAC name is 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
PubChem CID157230486
Molecular FormulaC187H142N8O10S
Molecular Weight2693.31 g/mol
Exact Mass2691.06
IUPAC Name4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCNC(=O)c1ccc(C(=O)Nc2ccc(CC3(Cc4ccc(C)cc4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.COC(=O)c1ccc(C(=O)Oc2ccc(CC3(Cc4ccc(C)cc4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(CC4(Cc5ccc(C)cc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc54)cc3)cc2)cc1
InChIInChI=1S/C65H52N2O4S.C61H46N4O2.C61H44N2O4/c1-47-23-25-48(26-24-47)45-65(46-49-27-31-57(32-28-49)71-58-35-39-60(40-36-58)72(68,69)59-37-33-56(70-2)34-38-59)63-43-54(66(50-15-7-3-8-16-50)51-17-9-4-10-18-51)29-41-61(63)62-42-30-55(44-64(62)65)67(52-19-11-5-12-20-52)53-21-13-6-14-22-53;1-39-19-21-40(22-20-39)37-61(38-41-23-29-44(30-24-41)63-60(67)43-27-25-42(26-28-43)59(66)62-2)53-35-45(64-55-15-7-3-11-49(55)50-12-4-8-16-56(50)64)31-33-47(53)48-34-32-46(36-54(48)61)65-57-17-9-5-13-51(57)52-14-6-10-18-58(52)65;1-39-19-21-40(22-20-39)37-61(38-41-23-31-46(32-24-41)67-60(65)43-27-25-42(26-28-43)59(64)66-2)53-35-44(62-55-15-7-3-11-49(55)50-12-4-8-16-56(50)62)29-33-47(53)48-34-30-45(36-54(48)61)63-57-17-9-5-13-51(57)52-14-6-10-18-58(52)63/h3-44H,45-46H2,1-2H3;3-36H,37-38H2,1-2H3,(H,62,66)(H,63,67);3-36H,37-38H2,1-2H3
InChIKeyAUAUFPFTIFXVLD-UHFFFAOYSA-N
XLogP43.82
TPSA189.60 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002693.31
LogP ≤ 543.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The IUPAC name of 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (CID 157230486) is 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.
What is the SMILES notation for 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The canonical SMILES for 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is CNC(=O)c1ccc(C(=O)Nc2ccc(CC3(Cc4ccc(C)cc4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.COC(=O)c1ccc(C(=O)Oc2ccc(CC3(Cc4ccc(C)cc4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(CC4(Cc5ccc(C)cc5)c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc54)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The InChIKey is AUAUFPFTIFXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N2O4S.C61H46N4O2.C61H44N2O4/c1-47-23-25-48(26-24-47)45-65(46-49-27-31-57(32-28-49)71-58-35-39-60(40-36-58)72(68,69)59-37-33-56(70-2)34-38-59)63-43-54(66(50-15-7-3-8-16-50)51-17-9-4-10-18-51)29-41-61(63)62-42-30-55(44-64(62)65)67(52-19-11-5-12-20-52)53-21-13-6-14-22-53;1-39-19-21-40(22-20-39)37-61(38-41-23-29-44(30-24-41)63-60(67)43-27-25-42(26-28-43)59(66)62-2)53-35-45(64-55-15-7-3-11-49(55)50-12-4-8-16-56(50)64)31-33-47(53)48-34-32-46(36-54(48)61)65-57-17-9-5-13-51(57)52-14-6-10-18-58(52)65;1-39-19-21-40(22-20-39)37-61(38-41-23-31-46(32-24-41)67-60(65)43-27-25-42(26-28-43)59(64)66-2)53-35-44(62-55-15-7-3-11-49(55)50-12-4-8-16-56(50)62)29-33-47(53)48-34-30-45(36-54(48)61)63-57-17-9-5-13-51(57)52-14-6-10-18-58(52)63/h3-44H,45-46H2,1-2H3;3-36H,37-38H2,1-2H3,(H,62,66)(H,63,67);3-36H,37-38H2,1-2H3.
What are the key properties of 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine has a molecular weight of 2693.31 g/mol, XLogP of 43.82, 33 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide;4-O-[4-[[2,7-di(carbazol-9-yl)-9-[(4-methylphenyl)methyl]fluoren-9-yl]methyl]phenyl] 1-O-methyl benzene-1,4-dicarboxylate;9-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]-9-[(4-methylphenyl)methyl]-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is sourced from PubChem (CID 157230486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).