N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine

C40H25NO2 — CID 171434849

IUPACN-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccc3ccccc3c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C40H25NO2/c1-2-12-27(13-3-1)30-23-24-32-31-15-6-8-18-35(31)43-40(32)39(30)41(29-22-21-26-11-4-5-14-28(26)25-29)34-17-10-20-37-38(34)33-16-7-9-19-36(33)42-37/h1-25H
InChIKeyJQVNBLJCMNAJKY-UHFFFAOYSA-N
MW551.65 g/mol
LogP11.78
Rot. Bonds4

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

N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine (PubChem CID 171434849) has the molecular formula C40H25NO2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine
PubChem CID171434849
Molecular FormulaC40H25NO2
Molecular Weight551.65 g/mol
Exact Mass551.19
IUPAC NameN-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccc3ccccc3c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C40H25NO2/c1-2-12-27(13-3-1)30-23-24-32-31-15-6-8-18-35(31)43-40(32)39(30)41(29-22-21-26-11-4-5-14-28(26)25-29)34-17-10-20-37-38(34)33-16-7-9-19-36(33)42-37/h1-25H
InChIKeyJQVNBLJCMNAJKY-UHFFFAOYSA-N
XLogP11.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 511.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435129
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-naphthalen-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172501948
N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435306
N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine
CID 171435455
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171434679
N-(2,6-diphenylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821323
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186610
9-N,10-N-di(dibenzofuran-4-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254489
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine (CID 171434849) is N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine is c1ccc(-c2ccc3c(oc4ccccc43)c2N(c2ccc3ccccc3c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine?
The InChIKey is JQVNBLJCMNAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2/c1-2-12-27(13-3-1)30-23-24-32-31-15-6-8-18-35(31)43-40(32)39(30)41(29-22-21-26-11-4-5-14-28(26)25-29)34-17-10-20-37-38(34)33-16-7-9-19-36(33)42-37/h1-25H.
What are the key properties of N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine?
N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine has a molecular weight of 551.65 g/mol, XLogP of 11.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine is sourced from PubChem (CID 171434849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).