ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine

C27H25N — CID 142294472

IUPACethane;N-(4-phenylphenyl)-9H-fluoren-3-amine
SMILESCC.c1ccc(-c2ccc(Nc3ccc4c(c3)-c3ccccc3C4)cc2)cc1
InChIInChI=1S/C25H19N.C2H6/c1-2-6-18(7-3-1)19-10-13-22(14-11-19)26-23-15-12-21-16-20-8-4-5-9-24(20)25(21)17-23;1-2/h1-15,17,26H,16H2;1-2H3
InChIKeyBYEUNDUGAUGDPM-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.69
Rot. Bonds3

About ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine

ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine (PubChem CID 142294472) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine.

Molecular Properties

Compound Nameethane;N-(4-phenylphenyl)-9H-fluoren-3-amine
PubChem CID142294472
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Nameethane;N-(4-phenylphenyl)-9H-fluoren-3-amine
SMILESCC.c1ccc(-c2ccc(Nc3ccc4c(c3)-c3ccccc3C4)cc2)cc1
InChIInChI=1S/C25H19N.C2H6/c1-2-6-18(7-3-1)19-10-13-22(14-11-19)26-23-15-12-21-16-20-8-4-5-9-24(20)25(21)17-23;1-2/h1-15,17,26H,16H2;1-2H3
InChIKeyBYEUNDUGAUGDPM-UHFFFAOYSA-N
XLogP7.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine?
The IUPAC name of ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine (CID 142294472) is ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine.
What is the SMILES notation for ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine?
The canonical SMILES for ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine is CC.c1ccc(-c2ccc(Nc3ccc4c(c3)-c3ccccc3C4)cc2)cc1.
What is the InChIKey of ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine?
The InChIKey is BYEUNDUGAUGDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N.C2H6/c1-2-6-18(7-3-1)19-10-13-22(14-11-19)26-23-15-12-21-16-20-8-4-5-9-24(20)25(21)17-23;1-2/h1-15,17,26H,16H2;1-2H3.
What are the key properties of ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine?
ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine has a molecular weight of 363.50 g/mol, XLogP of 7.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(4-phenylphenyl)-9H-fluoren-3-amine is sourced from PubChem (CID 142294472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).