N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline

C33H27N — CID 175031439

IUPACN-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
SMILESCc1cc2c(c(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C33H27N/c1-22-20-31-30-11-7-6-10-27(30)21-32(31)33(23(22)2)26-14-18-29(19-15-26)34-28-16-12-25(13-17-28)24-8-4-3-5-9-24/h3-20,34H,21H2,1-2H3
InChIKeyDQMXVLUTCHYNCT-UHFFFAOYSA-N
MW437.59 g/mol
LogP8.95
Rot. Bonds4

About N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline

N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline (PubChem CID 175031439) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
PubChem CID175031439
Molecular FormulaC33H27N
Molecular Weight437.59 g/mol
Exact Mass437.21
IUPAC NameN-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline
SMILESCc1cc2c(c(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C33H27N/c1-22-20-31-30-11-7-6-10-27(30)21-32(31)33(23(22)2)26-14-18-29(19-15-26)34-28-16-12-25(13-17-28)24-8-4-3-5-9-24/h3-20,34H,21H2,1-2H3
InChIKeyDQMXVLUTCHYNCT-UHFFFAOYSA-N
XLogP8.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclohexylphenyl)-2,3-dimethyl-9H-fluorene
CID 150811021
1,3-dimethyl-N-phenyl-9H-fluoren-2-amine
CID 174831401
ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine
CID 142294472
1-(2,3-dimethyl-9H-fluoren-1-yl)-2,3-diphenylanthracene
CID 166544861
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
CID 166133765
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-(3-phenyl-1-benzoselenophen-2-yl)-6-(2-phenylphenyl)triazine
CID 166134239
tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
CID 175811076

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline (CID 175031439) is N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline is Cc1cc2c(c(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c1C)Cc1ccccc1-2.
What is the InChIKey of N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline?
The InChIKey is DQMXVLUTCHYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-22-20-31-30-11-7-6-10-27(30)21-32(31)33(23(22)2)26-14-18-29(19-15-26)34-28-16-12-25(13-17-28)24-8-4-3-5-9-24/h3-20,34H,21H2,1-2H3.
What are the key properties of N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline?
N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline has a molecular weight of 437.59 g/mol, XLogP of 8.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethyl-9H-fluoren-1-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 175031439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).