N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

C54H43N — CID 135193279

IUPACN-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H43N/c1-36-33-39(38-19-8-5-9-20-38)34-37(2)52(36)55(42-31-32-44-43-25-14-16-27-46(43)53(3,4)49(44)35-42)50-30-18-29-48-51(50)45-26-15-17-28-47(45)54(48,40-21-10-6-11-22-40)41-23-12-7-13-24-41/h5-35H,1-4H3
InChIKeyVLULFMAVGBBHEU-UHFFFAOYSA-N
MW705.95 g/mol
LogP14.11
Rot. Bonds6

About N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine

N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 135193279) has the molecular formula C54H43N and a molecular weight of 705.95 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
PubChem CID135193279
Molecular FormulaC54H43N
Molecular Weight705.95 g/mol
Exact Mass705.34
IUPAC NameN-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H43N/c1-36-33-39(38-19-8-5-9-20-38)34-37(2)52(36)55(42-31-32-44-43-25-14-16-27-46(43)53(3,4)49(44)35-42)50-30-18-29-48-51(50)45-26-15-17-28-47(45)54(48,40-21-10-6-11-22-40)41-23-12-7-13-24-41/h5-35H,1-4H3
InChIKeyVLULFMAVGBBHEU-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.95
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;methane
CID 159092939
N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118193667
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 126548400
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 135193278
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121285745
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-methylfluoren-9-yl)phenyl]fluoren-2-amine
CID 135193179

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine (CID 135193279) is N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is VLULFMAVGBBHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N/c1-36-33-39(38-19-8-5-9-20-38)34-37(2)52(36)55(42-31-32-44-43-25-14-16-27-46(43)53(3,4)49(44)35-42)50-30-18-29-48-51(50)45-26-15-17-28-47(45)54(48,40-21-10-6-11-22-40)41-23-12-7-13-24-41/h5-35H,1-4H3.
What are the key properties of N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine?
N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 705.95 g/mol, XLogP of 14.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 135193279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).