8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine

C26H27N — CID 167084168

IUPAC8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine
SMILESCC12CCCCC1c1ccc(N)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N/c1-25-17-9-8-14-23(25)22-16-15-21(27)18-24(22)26(25,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,15-16,18,23H,8-9,14,17,27H2,1H3
InChIKeyJDCMSQGFHXJBNE-UHFFFAOYSA-N
MW353.51 g/mol
LogP6.28
Rot. Bonds2

About 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine

8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine (PubChem CID 167084168) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine.

Molecular Properties

Compound Name8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine
PubChem CID167084168
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC Name8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine
SMILESCC12CCCCC1c1ccc(N)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27N/c1-25-17-9-8-14-23(25)22-16-15-21(27)18-24(22)26(25,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,15-16,18,23H,8-9,14,17,27H2,1H3
InChIKeyJDCMSQGFHXJBNE-UHFFFAOYSA-N
XLogP6.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine?
The IUPAC name of 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine (CID 167084168) is 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine.
What is the SMILES notation for 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine?
The canonical SMILES for 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine is CC12CCCCC1c1ccc(N)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine?
The InChIKey is JDCMSQGFHXJBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N/c1-25-17-9-8-14-23(25)22-16-15-21(27)18-24(22)26(25,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,15-16,18,23H,8-9,14,17,27H2,1H3.
What are the key properties of 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine?
8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine has a molecular weight of 353.51 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-9,9-diphenyl-5,6,7,8-tetrahydro-4bH-fluoren-2-amine is sourced from PubChem (CID 167084168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).