N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine

C54H43NO — CID 135193278

IUPACN-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCOc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C54H43NO/c1-36-34-38(37-26-30-42(56-4)31-27-37)28-33-50(36)55(41-29-32-44-43-20-11-13-22-46(43)53(2,3)49(44)35-41)51-25-15-24-48-52(51)45-21-12-14-23-47(45)54(48,39-16-7-5-8-17-39)40-18-9-6-10-19-40/h5-35H,1-4H3
InChIKeyWERRLILVRNSEQN-UHFFFAOYSA-N
MW721.94 g/mol
LogP13.81
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine

N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 135193278) has the molecular formula C54H43NO and a molecular weight of 721.94 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine
PubChem CID135193278
Molecular FormulaC54H43NO
Molecular Weight721.94 g/mol
Exact Mass721.33
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCOc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C54H43NO/c1-36-34-38(37-26-30-42(56-4)31-27-37)28-33-50(36)55(41-29-32-44-43-20-11-13-22-46(43)53(2,3)49(44)35-41)51-25-15-24-48-52(51)45-21-12-14-23-47(45)54(48,39-16-7-5-8-17-39)40-18-9-6-10-19-40/h5-35H,1-4H3
InChIKeyWERRLILVRNSEQN-UHFFFAOYSA-N
XLogP13.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.94
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-4-yl)-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
CID 121423384
N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193279
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181614
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]-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
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 158254374
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-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine (CID 135193278) is N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine is COc1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)c(C)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is WERRLILVRNSEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43NO/c1-36-34-38(37-26-30-42(56-4)31-27-37)28-33-50(36)55(41-29-32-44-43-20-11-13-22-46(43)53(2,3)49(44)35-41)51-25-15-24-48-52(51)45-21-12-14-23-47(45)54(48,39-16-7-5-8-17-39)40-18-9-6-10-19-40/h5-35H,1-4H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine?
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 721.94 g/mol, XLogP of 13.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-methoxyphenyl)-2-methylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 135193278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).