N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine

C56H35NO2 — CID 171435429

IUPACN-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)c3c(oc4ccccc43)c2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C56H35NO2/c1-2-14-39(15-3-1)48-35-50(45-22-12-18-38-16-6-7-19-44(38)45)54-47-21-9-11-24-52(47)59-56(54)55(48)57(43-31-32-53-49(34-43)46-20-8-10-23-51(46)58-53)42-29-27-37(28-30-42)41-26-25-36-13-4-5-17-40(36)33-41/h1-35H
InChIKeyUORBXKYPYLQYFX-UHFFFAOYSA-N
MW753.90 g/mol
LogP16.26
Rot. Bonds6

About N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine

N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine (PubChem CID 171435429) has the molecular formula C56H35NO2 and a molecular weight of 753.90 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
PubChem CID171435429
Molecular FormulaC56H35NO2
Molecular Weight753.90 g/mol
Exact Mass753.27
IUPAC NameN-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)c3c(oc4ccccc43)c2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C56H35NO2/c1-2-14-39(15-3-1)48-35-50(45-22-12-18-38-16-6-7-19-44(38)45)54-47-21-9-11-24-52(47)59-56(54)55(48)57(43-31-32-53-49(34-43)46-20-8-10-23-51(46)58-53)42-29-27-37(28-30-42)41-26-25-36-13-4-5-17-40(36)33-41/h1-35H
InChIKeyUORBXKYPYLQYFX-UHFFFAOYSA-N
XLogP16.26
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.90
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine
CID 171435455
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 167086919
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805062
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
4-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 58510830
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine (CID 171435429) is N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine is c1ccc(-c2cc(-c3cccc4ccccc34)c3c(oc4ccccc43)c2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine?
The InChIKey is UORBXKYPYLQYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NO2/c1-2-14-39(15-3-1)48-35-50(45-22-12-18-38-16-6-7-19-44(38)45)54-47-21-9-11-24-52(47)59-56(54)55(48)57(43-31-32-53-49(34-43)46-20-8-10-23-51(46)58-53)42-29-27-37(28-30-42)41-26-25-36-13-4-5-17-40(36)33-41/h1-35H.
What are the key properties of N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine?
N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine has a molecular weight of 753.90 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171435429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).