1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine

C52H44N2O — CID 164768042

IUPAC1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(N(c5ccccc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c34)cc2)cc1
InChIInChI=1S/C52H44N2O/c1-4-12-39(13-5-1)40-22-26-44(27-23-40)54(43-16-8-3-9-17-43)48-20-10-18-46-50-47(19-11-21-49(50)55-51(46)48)53(42-14-6-2-7-15-42)45-28-24-41(25-29-45)52-33-36-30-37(34-52)32-38(31-36)35-52/h1-29,36-38H,30-35H2
InChIKeyRXZJXHUYNCJABO-UHFFFAOYSA-N
MW712.94 g/mol
LogP14.66
Rot. Bonds8

About 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine

1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine (PubChem CID 164768042) has the molecular formula C52H44N2O and a molecular weight of 712.94 g/mol. Its IUPAC name is 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine.

Molecular Properties

Compound Name1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine
PubChem CID164768042
Molecular FormulaC52H44N2O
Molecular Weight712.94 g/mol
Exact Mass712.35
IUPAC Name1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(N(c5ccccc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c34)cc2)cc1
InChIInChI=1S/C52H44N2O/c1-4-12-39(13-5-1)40-22-26-44(27-23-40)54(43-16-8-3-9-17-43)48-20-10-18-46-50-47(19-11-21-49(50)55-51(46)48)53(42-14-6-2-7-15-42)45-28-24-41(25-29-45)52-33-36-30-37(34-52)32-38(31-36)35-52/h1-29,36-38H,30-35H2
InChIKeyRXZJXHUYNCJABO-UHFFFAOYSA-N
XLogP14.66
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.94
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine with MolForge

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Related Compounds

9-N-[4-(1-adamantyl)phenyl]-1-N,1-N-diphenyl-9-N-(4-phenylphenyl)dibenzofuran-1,9-diamine
CID 164843683
6-N-[4-(1-adamantyl)phenyl]-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 164768089
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
2-N-[4-(1-adamantyl)phenyl]-4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-2-N-(3-phenylphenyl)dibenzofuran-2,4-diamine
CID 164843679
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163667046
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176759710
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
3-N-dibenzofuran-4-yl-1-N,3-N-diphenyl-1-N-[4-(3-tricyclo[3.3.1.11,3]decanyl)phenyl]benzene-1,3-diamine
CID 155421569

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine?
The IUPAC name of 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine (CID 164768042) is 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine.
What is the SMILES notation for 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine?
The canonical SMILES for 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4c3oc3cccc(N(c5ccccc5)c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c34)cc2)cc1.
What is the InChIKey of 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine?
The InChIKey is RXZJXHUYNCJABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N2O/c1-4-12-39(13-5-1)40-22-26-44(27-23-40)54(43-16-8-3-9-17-43)48-20-10-18-46-50-47(19-11-21-49(50)55-51(46)48)53(42-14-6-2-7-15-42)45-28-24-41(25-29-45)52-33-36-30-37(34-52)32-38(31-36)35-52/h1-29,36-38H,30-35H2.
What are the key properties of 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine?
1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine has a molecular weight of 712.94 g/mol, XLogP of 14.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(1-adamantyl)phenyl]-1-N,6-N-diphenyl-6-N-(4-phenylphenyl)dibenzofuran-1,6-diamine is sourced from PubChem (CID 164768042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).