N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

C56H45NO — CID 169028650

IUPACN-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4cccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5ccc6c(c5)oc5ccccc56)c4)c23)cc1
InChIInChI=1S/C56H45NO/c1-2-9-42(10-3-1)49-16-7-11-43-12-8-17-50(55(43)49)44-13-6-14-47(32-44)57(48-27-28-52-51-15-4-5-18-53(51)58-54(52)33-48)46-25-21-41(22-26-46)40-19-23-45(24-20-40)56-34-37-29-38(35-56)31-39(30-37)36-56/h1-28,32-33,37-39H,29-31,34-36H2
InChIKeySNTXSNIDPXLMPE-UHFFFAOYSA-N
MW747.98 g/mol
LogP15.68
Rot. Bonds7

About N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (PubChem CID 169028650) has the molecular formula C56H45NO and a molecular weight of 747.98 g/mol. Its IUPAC name is N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
PubChem CID169028650
Molecular FormulaC56H45NO
Molecular Weight747.98 g/mol
Exact Mass747.35
IUPAC NameN-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4cccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5ccc6c(c5)oc5ccccc56)c4)c23)cc1
InChIInChI=1S/C56H45NO/c1-2-9-42(10-3-1)49-16-7-11-43-12-8-17-50(55(43)49)44-13-6-14-47(32-44)57(48-27-28-52-51-15-4-5-18-53(51)58-54(52)33-48)46-25-21-41(22-26-46)40-19-23-45(24-20-40)56-34-37-29-38(35-56)31-39(30-37)36-56/h1-28,32-33,37-39H,29-31,34-36H2
InChIKeySNTXSNIDPXLMPE-UHFFFAOYSA-N
XLogP15.68
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.98
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-dibenzofuran-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028672
4-[4-(1-adamantyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028585
1-N-[4-(1-adamantyl)phenyl]-3-N-dibenzofuran-3-yl-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421754
N-[4-(1-adamantyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 169028373
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(3-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028274
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-carbazol-9-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028546
5-(1-adamantyl)-N-dibenzofuran-3-yl-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 169028688
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-3-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028364
2-[4-(1-adamantyl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798019
3-N-dibenzofuran-3-yl-1-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421758

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (CID 169028650) is N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc3cccc(-c4cccc(N(c5ccc(-c6ccc(C78CC9CC(CC(C9)C7)C8)cc6)cc5)c5ccc6c(c5)oc5ccccc56)c4)c23)cc1.
What is the InChIKey of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is SNTXSNIDPXLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45NO/c1-2-9-42(10-3-1)49-16-7-11-43-12-8-17-50(55(43)49)44-13-6-14-47(32-44)57(48-27-28-52-51-15-4-5-18-53(51)58-54(52)33-48)46-25-21-41(22-26-46)40-19-23-45(24-20-40)56-34-37-29-38(35-56)31-39(30-37)36-56/h1-28,32-33,37-39H,29-31,34-36H2.
What are the key properties of N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 747.98 g/mol, XLogP of 15.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-adamantyl)phenyl]phenyl]-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 169028650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).