4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline

C41H35N — CID 144810304

IUPAC4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc(Cc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1-c1ccccc1
InChIInChI=1S/C41H35N/c1-41(2)38-17-11-10-16-35(38)36-24-20-30(27-39(36)41)26-29-18-21-31(22-19-29)33-23-25-40(42(3)34-14-8-5-9-15-34)37(28-33)32-12-6-4-7-13-32/h4-25,27-28H,26H2,1-3H3
InChIKeyVCTICLSNIDWXEV-UHFFFAOYSA-N
MW541.74 g/mol
LogP10.69
Rot. Bonds6

About 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline

4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline (PubChem CID 144810304) has the molecular formula C41H35N and a molecular weight of 541.74 g/mol. Its IUPAC name is 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline.

Molecular Properties

Compound Name4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline
PubChem CID144810304
Molecular FormulaC41H35N
Molecular Weight541.74 g/mol
Exact Mass541.28
IUPAC Name4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc(Cc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1-c1ccccc1
InChIInChI=1S/C41H35N/c1-41(2)38-17-11-10-16-35(38)36-24-20-30(27-39(36)41)26-29-18-21-31(22-19-29)33-23-25-40(42(3)34-14-8-5-9-15-34)37(28-33)32-12-6-4-7-13-32/h4-25,27-28H,26H2,1-3H3
InChIKeyVCTICLSNIDWXEV-UHFFFAOYSA-N
XLogP10.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155221094
N,9,9-trimethyl-N-(2-methyl-4-phenylphenyl)fluoren-2-amine
CID 149403769
N-[2-(9,9-dimethylfluoren-2-yl)-4-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168801663
4-(9,9-dimethylfluoren-2-yl)-N-methyl-N,2-diphenylaniline;N-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-4-phenylaniline
CID 143676929
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159265679
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)naphthalene-1,4-diamine;N-methyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 158675579

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline?
The IUPAC name of 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline (CID 144810304) is 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline.
What is the SMILES notation for 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline?
The canonical SMILES for 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline is CN(c1ccccc1)c1ccc(-c2ccc(Cc3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline?
The InChIKey is VCTICLSNIDWXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N/c1-41(2)38-17-11-10-16-35(38)36-24-20-30(27-39(36)41)26-29-18-21-31(22-19-29)33-23-25-40(42(3)34-14-8-5-9-15-34)37(28-33)32-12-6-4-7-13-32/h4-25,27-28H,26H2,1-3H3.
What are the key properties of 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline?
4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline has a molecular weight of 541.74 g/mol, XLogP of 10.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline is sourced from PubChem (CID 144810304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).