3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline

C32H25N — CID 66691792

IUPAC3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESCc1cccc(Nc2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C32H25N/c1-23-11-9-15-26(21-23)33-27-16-10-14-25(22-27)32(24-12-3-2-4-13-24)30-19-7-5-17-28(30)29-18-6-8-20-31(29)32/h2-22,33H,1H3
InChIKeyCSFUABKNUYKBTO-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.10
Rot. Bonds4

About 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline

3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 66691792) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID66691792
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESCc1cccc(Nc2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1
InChIInChI=1S/C32H25N/c1-23-11-9-15-26(21-23)33-27-16-10-14-25(22-27)32(24-12-3-2-4-13-24)30-19-7-5-17-28(30)29-18-6-8-20-31(29)32/h2-22,33H,1H3
InChIKeyCSFUABKNUYKBTO-UHFFFAOYSA-N
XLogP8.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline (CID 66691792) is 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline is Cc1cccc(Nc2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is CSFUABKNUYKBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-23-11-9-15-26(21-23)33-27-16-10-14-25(22-27)32(24-12-3-2-4-13-24)30-19-7-5-17-28(30)29-18-6-8-20-31(29)32/h2-22,33H,1H3.
What are the key properties of 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline?
3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 423.56 g/mol, XLogP of 8.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 66691792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).