N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine

C44H34FNO — CID 176781272

IUPACN-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3ccccc23)ccc1N(c1ccc(-c2cccc(F)c2)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C44H34FNO/c1-44(2,3)39-28-32(36-17-9-12-30-11-4-5-15-35(30)36)23-26-40(39)46(34-24-21-29(22-25-34)31-13-8-14-33(45)27-31)41-19-10-18-38-37-16-6-7-20-42(37)47-43(38)41/h4-28H,1-3H3
InChIKeyUYPWTOSNUZBBRB-UHFFFAOYSA-N
MW611.76 g/mol
LogP12.98
Rot. Bonds5

About N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine

N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine (PubChem CID 176781272) has the molecular formula C44H34FNO and a molecular weight of 611.76 g/mol. Its IUPAC name is N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine
PubChem CID176781272
Molecular FormulaC44H34FNO
Molecular Weight611.76 g/mol
Exact Mass611.26
IUPAC NameN-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3ccccc23)ccc1N(c1ccc(-c2cccc(F)c2)cc1)c1cccc2c1oc1ccccc12
InChIInChI=1S/C44H34FNO/c1-44(2,3)39-28-32(36-17-9-12-30-11-4-5-15-35(30)36)23-26-40(39)46(34-24-21-29(22-25-34)31-13-8-14-33(45)27-31)41-19-10-18-38-37-16-6-7-20-42(37)47-43(38)41/h4-28H,1-3H3
InChIKeyUYPWTOSNUZBBRB-UHFFFAOYSA-N
XLogP12.98
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.76
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170014571
N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170014502
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine
CID 164774401
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804017
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine (CID 176781272) is N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine is CC(C)(C)c1cc(-c2cccc3ccccc23)ccc1N(c1ccc(-c2cccc(F)c2)cc1)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is UYPWTOSNUZBBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34FNO/c1-44(2,3)39-28-32(36-17-9-12-30-11-4-5-15-35(30)36)23-26-40(39)46(34-24-21-29(22-25-34)31-13-8-14-33(45)27-31)41-19-10-18-38-37-16-6-7-20-42(37)47-43(38)41/h4-28H,1-3H3.
What are the key properties of N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine?
N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 611.76 g/mol, XLogP of 12.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-naphthalen-1-ylphenyl)-N-[4-(3-fluorophenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 176781272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).