N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine

C74H49N — CID 129258869

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C74H49N/c1-6-23-50(24-7-1)53-41-43-62-61-34-17-20-37-66(61)74(69(62)48-53)67-38-21-18-35-64(67)72-68(74)39-22-40-71(72)75(59-46-54(51-25-8-2-9-26-51)45-55(47-59)52-27-10-3-11-28-52)58-42-44-63-60-33-16-19-36-65(60)73(70(63)49-58,56-29-12-4-13-30-56)57-31-14-5-15-32-57/h1-49H
InChIKeyLYQQWDPWTIXWIC-UHFFFAOYSA-N
MW952.21 g/mol
LogP18.86
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine

N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine (PubChem CID 129258869) has the molecular formula C74H49N and a molecular weight of 952.21 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
PubChem CID129258869
Molecular FormulaC74H49N
Molecular Weight952.21 g/mol
Exact Mass951.39
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C74H49N/c1-6-23-50(24-7-1)53-41-43-62-61-34-17-20-37-66(61)74(69(62)48-53)67-38-21-18-35-64(67)72-68(74)39-22-40-71(72)75(59-46-54(51-25-8-2-9-26-51)45-55(47-59)52-27-10-3-11-28-52)58-42-44-63-60-33-16-19-36-65(60)73(70(63)49-58,56-29-12-4-13-30-56)57-31-14-5-15-32-57/h1-49H
InChIKeyLYQQWDPWTIXWIC-UHFFFAOYSA-N
XLogP18.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.21
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 163289480
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240030
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 121423349
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 171453500
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine (CID 129258869) is N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is LYQQWDPWTIXWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N/c1-6-23-50(24-7-1)53-41-43-62-61-34-17-20-37-66(61)74(69(62)48-53)67-38-21-18-35-64(67)72-68(74)39-22-40-71(72)75(59-46-54(51-25-8-2-9-26-51)45-55(47-59)52-27-10-3-11-28-52)58-42-44-63-60-33-16-19-36-65(60)73(70(63)49-58,56-29-12-4-13-30-56)57-31-14-5-15-32-57/h1-49H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 952.21 g/mol, XLogP of 18.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 129258869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).