N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine

C276H176N4OS2 — CID 158728746

IUPACN-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3-4)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3-4)c3ccccc3-c3ccccc3)c(-c3ccccc3)c2)cc1.c1ccc(C2(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)ccc3-4)c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc2-3)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C74H49N.C72H45NO.C68H43NS.C62H39NS/c1-5-23-50(24-6-1)53-41-46-72(64(47-53)52-27-9-3-10-28-52)75(71-40-22-17-31-57(71)51-25-7-2-8-26-51)56-43-45-63-62-44-42-55(48-69(62)74(70(63)49-56)67-38-20-15-34-60(67)61-35-16-21-39-68(61)74)73(54-29-11-4-12-30-54)65-36-18-13-32-58(65)59-33-14-19-37-66(59)73;1-2-20-48(21-3-1)71(62-30-11-6-23-54(62)55-24-7-12-31-63(55)71)49-38-42-58-59-43-41-51(45-67(59)72(66(58)44-49)64-32-13-8-25-56(64)57-26-9-14-33-65(57)72)73(68-34-17-29-61-60-27-10-15-35-69(60)74-70(61)68)50-39-36-47(37-40-50)53-28-16-19-46-18-4-5-22-52(46)53;1-3-18-44(19-4-1)45-34-37-48(38-35-45)69(64-32-17-27-57-56-26-11-16-33-65(56)70-66(57)64)49-39-41-55-54-40-36-47(42-62(54)68(63(55)43-49)60-30-14-9-24-52(60)53-25-10-15-31-61(53)68)67(46-20-5-2-6-21-46)58-28-12-7-22-50(58)51-23-8-13-29-59(51)67;1-3-17-40(18-4-1)61(53-26-12-7-21-45(53)46-22-8-13-27-54(46)61)41-31-34-49-50-35-32-43(38-58(50)62(57(49)37-41)55-28-14-9-23-47(55)48-24-10-15-29-56(48)62)63(42-19-5-2-6-20-42)44-33-36-52-51-25-11-16-30-59(51)64-60(52)39-44/h1-49H;1-45H;1-43H;1-39H
InChIKeyIKVHFVHKZBWRTR-UHFFFAOYSA-N
MW3628.60 g/mol
LogP71.58
Rot. Bonds25

About N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine

N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine (PubChem CID 158728746) has the molecular formula C276H176N4OS2 and a molecular weight of 3628.60 g/mol. Its IUPAC name is N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine
PubChem CID158728746
Molecular FormulaC276H176N4OS2
Molecular Weight3628.60 g/mol
Exact Mass3625.33
IUPAC NameN-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3-4)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3-4)c3ccccc3-c3ccccc3)c(-c3ccccc3)c2)cc1.c1ccc(C2(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)ccc3-4)c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc2-3)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C74H49N.C72H45NO.C68H43NS.C62H39NS/c1-5-23-50(24-6-1)53-41-46-72(64(47-53)52-27-9-3-10-28-52)75(71-40-22-17-31-57(71)51-25-7-2-8-26-51)56-43-45-63-62-44-42-55(48-69(62)74(70(63)49-56)67-38-20-15-34-60(67)61-35-16-21-39-68(61)74)73(54-29-11-4-12-30-54)65-36-18-13-32-58(65)59-33-14-19-37-66(59)73;1-2-20-48(21-3-1)71(62-30-11-6-23-54(62)55-24-7-12-31-63(55)71)49-38-42-58-59-43-41-51(45-67(59)72(66(58)44-49)64-32-13-8-25-56(64)57-26-9-14-33-65(57)72)73(68-34-17-29-61-60-27-10-15-35-69(60)74-70(61)68)50-39-36-47(37-40-50)53-28-16-19-46-18-4-5-22-52(46)53;1-3-18-44(19-4-1)45-34-37-48(38-35-45)69(64-32-17-27-57-56-26-11-16-33-65(56)70-66(57)64)49-39-41-55-54-40-36-47(42-62(54)68(63(55)43-49)60-30-14-9-24-52(60)53-25-10-15-31-61(53)68)67(46-20-5-2-6-21-46)58-28-12-7-22-50(58)51-23-8-13-29-59(51)67;1-3-17-40(18-4-1)61(53-26-12-7-21-45(53)46-22-8-13-27-54(46)61)41-31-34-49-50-35-32-43(38-58(50)62(57(49)37-41)55-28-14-9-23-47(55)48-24-10-15-29-56(48)62)63(42-19-5-2-6-20-42)44-33-36-52-51-25-11-16-30-59(51)64-60(52)39-44/h1-49H;1-45H;1-43H;1-39H
InChIKeyIKVHFVHKZBWRTR-UHFFFAOYSA-N
XLogP71.58
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms283
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003628.60
LogP ≤ 571.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine?
The IUPAC name of N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine (CID 158728746) is N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine?
The canonical SMILES for N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3-4)c3cccc4c3sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3-4)c3ccccc3-c3ccccc3)c(-c3ccccc3)c2)cc1.c1ccc(C2(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6c5oc5ccccc56)ccc3-4)c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc2-3)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine?
The InChIKey is IKVHFVHKZBWRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N.C72H45NO.C68H43NS.C62H39NS/c1-5-23-50(24-6-1)53-41-46-72(64(47-53)52-27-9-3-10-28-52)75(71-40-22-17-31-57(71)51-25-7-2-8-26-51)56-43-45-63-62-44-42-55(48-69(62)74(70(63)49-56)67-38-20-15-34-60(67)61-35-16-21-39-68(61)74)73(54-29-11-4-12-30-54)65-36-18-13-32-58(65)59-33-14-19-37-66(59)73;1-2-20-48(21-3-1)71(62-30-11-6-23-54(62)55-24-7-12-31-63(55)71)49-38-42-58-59-43-41-51(45-67(59)72(66(58)44-49)64-32-13-8-25-56(64)57-26-9-14-33-65(57)72)73(68-34-17-29-61-60-27-10-15-35-69(60)74-70(61)68)50-39-36-47(37-40-50)53-28-16-19-46-18-4-5-22-52(46)53;1-3-18-44(19-4-1)45-34-37-48(38-35-45)69(64-32-17-27-57-56-26-11-16-33-65(56)70-66(57)64)49-39-41-55-54-40-36-47(42-62(54)68(63(55)43-49)60-30-14-9-24-52(60)53-25-10-15-31-61(53)68)67(46-20-5-2-6-21-46)58-28-12-7-22-50(58)51-23-8-13-29-59(51)67;1-3-17-40(18-4-1)61(53-26-12-7-21-45(53)46-22-8-13-27-54(46)61)41-31-34-49-50-35-32-43(38-58(50)62(57(49)37-41)55-28-14-9-23-47(55)48-24-10-15-29-56(48)62)63(42-19-5-2-6-20-42)44-33-36-52-51-25-11-16-30-59(51)64-60(52)39-44/h1-49H;1-45H;1-43H;1-39H.
What are the key properties of N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine?
N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine has a molecular weight of 3628.60 g/mol, XLogP of 71.58, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diphenylphenyl)-7'-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-1-ylphenyl)-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzofuran-4-amine;N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-N-[7'-(9-phenylfluoren-9-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-3-amine is sourced from PubChem (CID 158728746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).