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

C65H47N — CID 164929284

IUPACN-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C65H47N/c1-63(2)50-27-12-9-23-47(50)60-55(63)32-18-34-57(60)66(58-39-41-19-5-6-20-44(41)62-61(58)48-24-10-13-28-51(48)64(62,3)4)42-37-35-40(36-38-42)43-26-17-33-56-59(43)49-25-11-16-31-54(49)65(56)52-29-14-7-21-45(52)46-22-8-15-30-53(46)65/h5-39H,1-4H3
InChIKeyYGBYNDIUFRURRP-UHFFFAOYSA-N
MW842.10 g/mol
LogP16.93
Rot. Bonds4

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

N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine (PubChem CID 164929284) has the molecular formula C65H47N and a molecular weight of 842.10 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine
PubChem CID164929284
Molecular FormulaC65H47N
Molecular Weight842.10 g/mol
Exact Mass841.37
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cccc21
InChIInChI=1S/C65H47N/c1-63(2)50-27-12-9-23-47(50)60-55(63)32-18-34-57(60)66(58-39-41-19-5-6-20-44(41)62-61(58)48-24-10-13-28-51(48)64(62,3)4)42-37-35-40(36-38-42)43-26-17-33-56-59(43)49-25-11-16-31-54(49)65(56)52-29-14-7-21-45(52)46-22-8-15-30-53(46)65/h5-39H,1-4H3
InChIKeyYGBYNDIUFRURRP-UHFFFAOYSA-N
XLogP16.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-(4-phenanthren-9-ylphenyl)benzo[a]fluoren-6-amine
CID 164929229
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
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-naphthalen-2-ylbenzo[a]fluoren-6-amine
CID 164929456
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-1-yl)phenyl]-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929236
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-11,11-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]fluoren-6-amine
CID 164929576
N-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 164929204
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-6-amine
CID 164929364

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine?
The IUPAC name of 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) is N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3cc4ccccc4c4c3-c3ccccc3C4(C)C)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine?
The InChIKey is YGBYNDIUFRURRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N/c1-63(2)50-27-12-9-23-47(50)60-55(63)32-18-34-57(60)66(58-39-41-19-5-6-20-44(41)62-61(58)48-24-10-13-28-51(48)64(62,3)4)42-37-35-40(36-38-42)43-26-17-33-56-59(43)49-25-11-16-31-54(49)65(56)52-29-14-7-21-45(52)46-22-8-15-30-53(46)65/h5-39H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine?
N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine has a molecular weight of 842.10 g/mol, XLogP of 16.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-11,11-dimethyl-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]fluoren-6-amine is sourced from PubChem (CID 164929284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).