4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline

C39H32N2 — CID 118682439

IUPAC4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3Nc3ccc(-c4ccc(N)c(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C39H32N2/c1-39(2)35-14-8-6-13-32(35)33-22-18-29(25-36(33)39)31-12-7-9-15-38(31)41-30-20-16-26(17-21-30)28-19-23-37(40)34(24-28)27-10-4-3-5-11-27/h3-25,41H,40H2,1-2H3
InChIKeyDYFQIXWAHZHPJB-UHFFFAOYSA-N
MW528.70 g/mol
LogP10.32
Rot. Bonds5

About 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline

4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline (PubChem CID 118682439) has the molecular formula C39H32N2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline.

Molecular Properties

Compound Name4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
PubChem CID118682439
Molecular FormulaC39H32N2
Molecular Weight528.70 g/mol
Exact Mass528.26
IUPAC Name4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3Nc3ccc(-c4ccc(N)c(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C39H32N2/c1-39(2)35-14-8-6-13-32(35)33-22-18-29(25-36(33)39)31-12-7-9-15-38(31)41-30-20-16-26(17-21-30)28-19-23-37(40)34(24-28)27-10-4-3-5-11-27/h3-25,41H,40H2,1-2H3
InChIKeyDYFQIXWAHZHPJB-UHFFFAOYSA-N
XLogP10.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 510.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-3-yl)phenyl]fluoren-2-amine
CID 146293909
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
7-(4-anilinophenyl)-9,9-dimethylfluoren-2-amine
CID 142967651
CID 174016389
CID 174016389
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline?
The IUPAC name of 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline (CID 118682439) is 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline.
What is the SMILES notation for 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline?
The canonical SMILES for 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline is CC1(C)c2ccccc2-c2ccc(-c3ccccc3Nc3ccc(-c4ccc(N)c(-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline?
The InChIKey is DYFQIXWAHZHPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H32N2/c1-39(2)35-14-8-6-13-32(35)33-22-18-29(25-36(33)39)31-12-7-9-15-38(31)41-30-20-16-26(17-21-30)28-19-23-37(40)34(24-28)27-10-4-3-5-11-27/h3-25,41H,40H2,1-2H3.
What are the key properties of 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline?
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline has a molecular weight of 528.70 g/mol, XLogP of 10.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline is sourced from PubChem (CID 118682439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).