9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine

C52H41N — CID 118487154

IUPAC9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)cc1-c1ccccc1
InChIInChI=1S/C52H41N/c1-36-21-22-43(34-48(36)40-15-8-5-9-16-40)39-25-29-45(30-26-39)53(46-31-32-51-49(35-46)47-19-10-11-20-50(47)52(51,2)3)44-27-23-38(24-28-44)42-18-12-17-41(33-42)37-13-6-4-7-14-37/h4-35H,1-3H3
InChIKeyBJRGPTHPJFVABG-UHFFFAOYSA-N
MW679.91 g/mol
LogP14.44
Rot. Bonds7

About 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine

9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine (PubChem CID 118487154) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
PubChem CID118487154
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC Name9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)cc1-c1ccccc1
InChIInChI=1S/C52H41N/c1-36-21-22-43(34-48(36)40-15-8-5-9-16-40)39-25-29-45(30-26-39)53(46-31-32-51-49(35-46)47-19-10-11-20-50(47)52(51,2)3)44-27-23-38(24-28-44)42-18-12-17-41(33-42)37-13-6-4-7-14-37/h4-35H,1-3H3
InChIKeyBJRGPTHPJFVABG-UHFFFAOYSA-N
XLogP14.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
9,9-dimethyl-N-[4-(4-methylnaphthalen-1-yl)naphthalen-1-yl]-N-(4-phenylphenyl)fluoren-3-amine;1-methyl-2-(2-methyl-5-phenylphenyl)-3-phenylbenzene
CID 162723202
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
9,9-dimethyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)fluoren-3-amine
CID 71249366
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 121477343
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167176479
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168789629
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine (CID 118487154) is 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine is Cc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)-c3ccccc3C4(C)C)cc2)cc1-c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
The InChIKey is BJRGPTHPJFVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N/c1-36-21-22-43(34-48(36)40-15-8-5-9-16-40)39-25-29-45(30-26-39)53(46-31-32-51-49(35-46)47-19-10-11-20-50(47)52(51,2)3)44-27-23-38(24-28-44)42-18-12-17-41(33-42)37-13-6-4-7-14-37/h4-35H,1-3H3.
What are the key properties of 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine?
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine has a molecular weight of 679.91 g/mol, XLogP of 14.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine is sourced from PubChem (CID 118487154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).