9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine

C28H25N — CID 18730181

IUPAC9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)c2ccccc2-3)cc1
InChIInChI=1S/C28H25N/c1-19-8-12-22(13-9-19)29(23-14-10-20(2)11-15-23)24-16-17-27-26-7-5-4-6-25(26)21(3)28(27)18-24/h4-18,21H,1-3H3
InChIKeyFYOILZOXGUXKQX-UHFFFAOYSA-N
MW375.52 g/mol
LogP7.91
Rot. Bonds3

About 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine

9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine (PubChem CID 18730181) has the molecular formula C28H25N and a molecular weight of 375.52 g/mol. Its IUPAC name is 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine
PubChem CID18730181
Molecular FormulaC28H25N
Molecular Weight375.52 g/mol
Exact Mass375.20
IUPAC Name9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)c2ccccc2-3)cc1
InChIInChI=1S/C28H25N/c1-19-8-12-22(13-9-19)29(23-14-10-20(2)11-15-23)24-16-17-27-26-7-5-4-6-25(26)21(3)28(27)18-24/h4-18,21H,1-3H3
InChIKeyFYOILZOXGUXKQX-UHFFFAOYSA-N
XLogP7.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine?
The IUPAC name of 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine (CID 18730181) is 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine.
What is the SMILES notation for 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine?
The canonical SMILES for 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)c2ccccc2-3)cc1.
What is the InChIKey of 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine?
The InChIKey is FYOILZOXGUXKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N/c1-19-8-12-22(13-9-19)29(23-14-10-20(2)11-15-23)24-16-17-27-26-7-5-4-6-25(26)21(3)28(27)18-24/h4-18,21H,1-3H3.
What are the key properties of 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine?
9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine has a molecular weight of 375.52 g/mol, XLogP of 7.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine is sourced from PubChem (CID 18730181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).