N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline

C40H33N — CID 154957513

IUPACN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
SMILESCN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C40H33N/c1-40(2)37-14-8-7-12-36(37)39-35(13-9-15-38(39)40)32-22-26-34(27-23-32)41(3)33-24-20-31(21-25-33)30-18-16-29(17-19-30)28-10-5-4-6-11-28/h4-27H,1-3H3
InChIKeyANTISBOFCXUZCW-UHFFFAOYSA-N
MW527.71 g/mol
LogP10.76
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline

N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline (PubChem CID 154957513) has the molecular formula C40H33N and a molecular weight of 527.71 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
PubChem CID154957513
Molecular FormulaC40H33N
Molecular Weight527.71 g/mol
Exact Mass527.26
IUPAC NameN-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
SMILESCN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1
InChIInChI=1S/C40H33N/c1-40(2)37-14-8-7-12-36(37)39-35(13-9-15-38(39)40)32-22-26-34(27-23-32)41(3)33-24-20-31(21-25-33)30-18-16-29(17-19-30)28-10-5-4-6-11-28/h4-27H,1-3H3
InChIKeyANTISBOFCXUZCW-UHFFFAOYSA-N
XLogP10.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 166028521
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline
CID 142480693
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
4-(9,9-dimethylfluoren-1-yl)-N-methyl-N-phenylaniline
CID 163557328

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline (CID 154957513) is N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline is CN(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2cccc3c2-c2ccccc2C3(C)C)cc1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline?
The InChIKey is ANTISBOFCXUZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N/c1-40(2)37-14-8-7-12-36(37)39-35(13-9-15-38(39)40)32-22-26-34(27-23-32)41(3)33-24-20-31(21-25-33)30-18-16-29(17-19-30)28-10-5-4-6-11-28/h4-27H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline?
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline has a molecular weight of 527.71 g/mol, XLogP of 10.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 154957513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).