4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline

C37H40N2 — CID 171774476

IUPAC4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline
SMILESNc1ccc(C2(c3ccc(N)c(C4CCCCC4)c3)c3ccccc3-c3ccccc32)cc1C1CCCCC1
InChIInChI=1S/C37H40N2/c38-35-21-19-27(23-31(35)25-11-3-1-4-12-25)37(28-20-22-36(39)32(24-28)26-13-5-2-6-14-26)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h7-10,15-26H,1-6,11-14,38-39H2
InChIKeyDIQAUWDFQUABLV-UHFFFAOYSA-N
MW512.74 g/mol
LogP9.31
Rot. Bonds4

About 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline

4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline (PubChem CID 171774476) has the molecular formula C37H40N2 and a molecular weight of 512.74 g/mol. Its IUPAC name is 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline.

Molecular Properties

Compound Name4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline
PubChem CID171774476
Molecular FormulaC37H40N2
Molecular Weight512.74 g/mol
Exact Mass512.32
IUPAC Name4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline
SMILESNc1ccc(C2(c3ccc(N)c(C4CCCCC4)c3)c3ccccc3-c3ccccc32)cc1C1CCCCC1
InChIInChI=1S/C37H40N2/c38-35-21-19-27(23-31(35)25-11-3-1-4-12-25)37(28-20-22-36(39)32(24-28)26-13-5-2-6-14-26)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h7-10,15-26H,1-6,11-14,38-39H2
InChIKeyDIQAUWDFQUABLV-UHFFFAOYSA-N
XLogP9.31
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.74
LogP ≤ 59.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline?
The IUPAC name of 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline (CID 171774476) is 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline.
What is the SMILES notation for 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline?
The canonical SMILES for 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline is Nc1ccc(C2(c3ccc(N)c(C4CCCCC4)c3)c3ccccc3-c3ccccc32)cc1C1CCCCC1.
What is the InChIKey of 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline?
The InChIKey is DIQAUWDFQUABLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N2/c38-35-21-19-27(23-31(35)25-11-3-1-4-12-25)37(28-20-22-36(39)32(24-28)26-13-5-2-6-14-26)33-17-9-7-15-29(33)30-16-8-10-18-34(30)37/h7-10,15-26H,1-6,11-14,38-39H2.
What are the key properties of 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline?
4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline has a molecular weight of 512.74 g/mol, XLogP of 9.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-amino-3-cyclohexylphenyl)fluoren-9-yl]-2-cyclohexylaniline is sourced from PubChem (CID 171774476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).