N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine

C36H31NO — CID 176759845

IUPACN-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(Nc5ccccc5-c5ccc(C6CCCCC6)cc5)c4c3c2)cc1
InChIInChI=1S/C36H31NO/c1-3-10-25(11-4-1)27-18-20-28(21-19-27)30-14-7-8-15-32(30)37-33-16-9-17-35-36(33)31-24-29(22-23-34(31)38-35)26-12-5-2-6-13-26/h2,5-9,12-25,37H,1,3-4,10-11H2
InChIKeyRYAAFXDJCJDWBD-UHFFFAOYSA-N
MW493.65 g/mol
LogP10.71
Rot. Bonds5

About N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine

N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine (PubChem CID 176759845) has the molecular formula C36H31NO and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
PubChem CID176759845
Molecular FormulaC36H31NO
Molecular Weight493.65 g/mol
Exact Mass493.24
IUPAC NameN-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
SMILESc1ccc(-c2ccc3oc4cccc(Nc5ccccc5-c5ccc(C6CCCCC6)cc5)c4c3c2)cc1
InChIInChI=1S/C36H31NO/c1-3-10-25(11-4-1)27-18-20-28(21-19-27)30-14-7-8-15-32(30)37-33-16-9-17-35-36(33)31-24-29(22-23-34(31)38-35)26-12-5-2-6-13-26/h2,5-9,12-25,37H,1,3-4,10-11H2
InChIKeyRYAAFXDJCJDWBD-UHFFFAOYSA-N
XLogP10.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 510.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 176760060
N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
2-[8-[4-(4-cyclopropylphenyl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170209349
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164797633
N-(8-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 176759764
N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176759731
N-(3-dibenzofuran-2-ylphenyl)-2-phenylaniline
CID 121360316
9-(4-cyclohexylphenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507900
N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 168759232
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
2-cyclopentyl-8-[1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran-3-yl]dibenzofuran
CID 167306884

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
The IUPAC name of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine (CID 176759845) is N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine is c1ccc(-c2ccc3oc4cccc(Nc5ccccc5-c5ccc(C6CCCCC6)cc5)c4c3c2)cc1.
What is the InChIKey of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
The InChIKey is RYAAFXDJCJDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31NO/c1-3-10-25(11-4-1)27-18-20-28(21-19-27)30-14-7-8-15-32(30)37-33-16-9-17-35-36(33)31-24-29(22-23-34(31)38-35)26-12-5-2-6-13-26/h2,5-9,12-25,37H,1,3-4,10-11H2.
What are the key properties of N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine has a molecular weight of 493.65 g/mol, XLogP of 10.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexylphenyl)phenyl]-8-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176759845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).