N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine

C48H39NO — CID 168771617

IUPACN-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3C3CCCCC3)cc2)cc1
InChIInChI=1S/C48H39NO/c1-4-15-34(16-5-1)40-21-10-12-25-45(40)49(39-31-32-44-43-22-11-13-26-46(43)50-47(44)33-39)38-29-27-37(28-30-38)48-41(35-17-6-2-7-18-35)23-14-24-42(48)36-19-8-3-9-20-36/h2-3,6-14,17-34H,1,4-5,15-16H2
InChIKeyVEXKCPPRIRKGMB-UHFFFAOYSA-N
MW645.85 g/mol
LogP14.10
Rot. Bonds7

About N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine

N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 168771617) has the molecular formula C48H39NO and a molecular weight of 645.85 g/mol. Its IUPAC name is N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID168771617
Molecular FormulaC48H39NO
Molecular Weight645.85 g/mol
Exact Mass645.30
IUPAC NameN-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3C3CCCCC3)cc2)cc1
InChIInChI=1S/C48H39NO/c1-4-15-34(16-5-1)40-21-10-12-25-45(40)49(39-31-32-44-43-22-11-13-26-46(43)50-47(44)33-39)38-29-27-37(28-30-38)48-41(35-17-6-2-7-18-35)23-14-24-42(48)36-19-8-3-9-20-36/h2-3,6-14,17-34H,1,4-5,15-16H2
InChIKeyVEXKCPPRIRKGMB-UHFFFAOYSA-N
XLogP14.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.85
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771717
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170295954
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170300908

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine (CID 168771617) is N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccccc3C3CCCCC3)cc2)cc1.
What is the InChIKey of N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is VEXKCPPRIRKGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39NO/c1-4-15-34(16-5-1)40-21-10-12-25-45(40)49(39-31-32-44-43-22-11-13-26-46(43)50-47(44)33-39)38-29-27-37(28-30-38)48-41(35-17-6-2-7-18-35)23-14-24-42(48)36-19-8-3-9-20-36/h2-3,6-14,17-34H,1,4-5,15-16H2.
What are the key properties of N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 645.85 g/mol, XLogP of 14.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 168771617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).