N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine

C75H51N — CID 164929573

IUPACN-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc3ccccc3c21
InChIInChI=1S/C75H51N/c1-73(2)61-33-16-14-31-59(61)71-69(47-50-22-9-10-27-54(50)72(71)73)76(68-39-21-38-66-70(68)60-32-15-20-37-65(60)74(66,51-23-5-3-6-24-51)52-25-7-4-8-26-52)53-43-40-48(41-44-53)49-42-45-58-57-30-13-19-36-64(57)75(67(58)46-49)62-34-17-11-28-55(62)56-29-12-18-35-63(56)75/h3-47H,1-2H3
InChIKeyDWTNNBZMDJSUNR-UHFFFAOYSA-N
MW966.24 g/mol
LogP18.99
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine

N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine (PubChem CID 164929573) has the molecular formula C75H51N and a molecular weight of 966.24 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine
PubChem CID164929573
Molecular FormulaC75H51N
Molecular Weight966.24 g/mol
Exact Mass965.40
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc3ccccc3c21
InChIInChI=1S/C75H51N/c1-73(2)61-33-16-14-31-59(61)71-69(47-50-22-9-10-27-54(50)72(71)73)76(68-39-21-38-66-70(68)60-32-15-20-37-65(60)74(66,51-23-5-3-6-24-51)52-25-7-4-8-26-52)53-43-40-48(41-44-53)49-42-45-58-57-30-13-19-36-64(57)75(67(58)46-49)62-34-17-11-28-55(62)56-29-12-18-35-63(56)75/h3-47H,1-2H3
InChIKeyDWTNNBZMDJSUNR-UHFFFAOYSA-N
XLogP18.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.24
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929337
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine
CID 164929284
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 126548871
N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-naphthalen-1-ylbenzo[a]fluoren-6-amine
CID 164929497
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-11,11-dimethyl-N-[4-(4-phenylphenyl)phenyl]benzo[a]fluoren-6-amine
CID 164929320
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
CID 170373098
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)naphthalen-1-yl]-N,9,9-triphenylfluoren-4-amine
CID 170412534
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine (CID 164929573) is N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc3ccccc3c21.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine?
The InChIKey is DWTNNBZMDJSUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H51N/c1-73(2)61-33-16-14-31-59(61)71-69(47-50-22-9-10-27-54(50)72(71)73)76(68-39-21-38-66-70(68)60-32-15-20-37-65(60)74(66,51-23-5-3-6-24-51)52-25-7-4-8-26-52)53-43-40-48(41-44-53)49-42-45-58-57-30-13-19-36-64(57)75(67(58)46-49)62-34-17-11-28-55(62)56-29-12-18-35-63(56)75/h3-47H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine?
N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine has a molecular weight of 966.24 g/mol, XLogP of 18.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]benzo[a]fluoren-6-amine is sourced from PubChem (CID 164929573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).