N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine

C54H45NO — CID 174255291

IUPACN-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3oc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(C6(c7ccccc7)CCCCCCC6)cc5)ccc4c23)cc1
InChIInChI=1S/C54H45NO/c1-2-12-36-54(37-13-3-1,42-20-8-5-9-21-42)43-28-32-45(33-29-43)55(44-30-26-41(27-31-44)48-23-14-19-39-18-10-11-22-47(39)48)46-34-35-50-52(38-46)56-51-25-15-24-49(53(50)51)40-16-6-4-7-17-40/h4-11,14-35,38H,1-3,12-13,36-37H2
InChIKeyWMVKOUKMEFLUPE-UHFFFAOYSA-N
MW723.96 g/mol
LogP15.57
Rot. Bonds7

About N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine (PubChem CID 174255291) has the molecular formula C54H45NO and a molecular weight of 723.96 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
PubChem CID174255291
Molecular FormulaC54H45NO
Molecular Weight723.96 g/mol
Exact Mass723.35
IUPAC NameN-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3oc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(C6(c7ccccc7)CCCCCCC6)cc5)ccc4c23)cc1
InChIInChI=1S/C54H45NO/c1-2-12-36-54(37-13-3-1,42-20-8-5-9-21-42)43-28-32-45(33-29-43)55(44-30-26-41(27-31-44)48-23-14-19-39-18-10-11-22-47(39)48)46-34-35-50-52(38-46)56-51-25-15-24-49(53(50)51)40-16-6-4-7-17-40/h4-11,14-35,38H,1-3,12-13,36-37H2
InChIKeyWMVKOUKMEFLUPE-UHFFFAOYSA-N
XLogP15.57
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.96
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255025
N-naphthalen-2-yl-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255001
N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255268
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176844259
N-(9,9-dimethylfluoren-3-yl)-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255082
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 170535097

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine (CID 174255291) is N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc3oc4cc(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc(C6(c7ccccc7)CCCCCCC6)cc5)ccc4c23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
The InChIKey is WMVKOUKMEFLUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45NO/c1-2-12-36-54(37-13-3-1,42-20-8-5-9-21-42)43-28-32-45(33-29-43)55(44-30-26-41(27-31-44)48-23-14-19-39-18-10-11-22-47(39)48)46-34-35-50-52(38-46)56-51-25-15-24-49(53(50)51)40-16-6-4-7-17-40/h4-11,14-35,38H,1-3,12-13,36-37H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine?
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine has a molecular weight of 723.96 g/mol, XLogP of 15.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 174255291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).