4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline

C32H25N — CID 157107572

IUPAC4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
SMILESCc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1C2
InChIInChI=1S/C32H25N/c1-23-12-13-26-21-27-15-14-25(22-32(27)31(26)20-23)24-16-18-30(19-17-24)33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-20,22H,21H2,1H3
InChIKeyDXWVCOPODQUJRF-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.70
Rot. Bonds4

About 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline

4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline (PubChem CID 157107572) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
PubChem CID157107572
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
SMILESCc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1C2
InChIInChI=1S/C32H25N/c1-23-12-13-26-21-27-15-14-25(22-32(27)31(26)20-23)24-16-18-30(19-17-24)33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-20,22H,21H2,1H3
InChIKeyDXWVCOPODQUJRF-UHFFFAOYSA-N
XLogP8.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline (CID 157107572) is 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline is Cc1ccc2c(c1)-c1cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc1C2.
What is the InChIKey of 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline?
The InChIKey is DXWVCOPODQUJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-23-12-13-26-21-27-15-14-25(22-32(27)31(26)20-23)24-16-18-30(19-17-24)33(28-8-4-2-5-9-28)29-10-6-3-7-11-29/h2-20,22H,21H2,1H3.
What are the key properties of 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline?
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline has a molecular weight of 423.56 g/mol, XLogP of 8.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 157107572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).