N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine

C40H25NO2 — CID 170301528

IUPACN-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2cc3oc4cccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)c4c3c3ccccc23)cc1
InChIInChI=1S/C40H25NO2/c1-3-13-26(14-4-1)31-25-37-39(29-18-8-7-17-28(29)31)40-33(21-12-24-36(40)43-37)41(27-15-5-2-6-16-27)32-20-11-23-35-38(32)30-19-9-10-22-34(30)42-35/h1-25H
InChIKeyBQWJUTLGPZCDII-UHFFFAOYSA-N
MW551.65 g/mol
LogP11.78
Rot. Bonds4

About N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine

N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 170301528) has the molecular formula C40H25NO2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
PubChem CID170301528
Molecular FormulaC40H25NO2
Molecular Weight551.65 g/mol
Exact Mass551.19
IUPAC NameN-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(-c2cc3oc4cccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)c4c3c3ccccc23)cc1
InChIInChI=1S/C40H25NO2/c1-3-13-26(14-4-1)31-25-37-39(29-18-8-7-17-28(29)31)40-33(21-12-24-36(40)43-37)41(27-15-5-2-6-16-27)32-20-11-23-35-38(32)30-19-9-10-22-34(30)42-35/h1-25H
InChIKeyBQWJUTLGPZCDII-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-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301532
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 176844569
N-[4-[4-(N-dibenzofuran-1-ylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-1-amine
CID 146582237
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301754
2-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N,N-bis(4-phenylphenyl)aniline
CID 170301670
N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176808370
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
1-N,7-N-di(dibenzofuran-1-yl)-1-N,7-N,4,5-tetraphenylnaphthalene-1,7-diamine
CID 159556461
N-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 170301658

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine (CID 170301528) is N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine is c1ccc(-c2cc3oc4cccc(N(c5ccccc5)c5cccc6oc7ccccc7c56)c4c3c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is BQWJUTLGPZCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2/c1-3-13-26(14-4-1)31-25-37-39(29-18-8-7-17-28(29)31)40-33(21-12-24-36(40)43-37)41(27-15-5-2-6-16-27)32-20-11-23-35-38(32)30-19-9-10-22-34(30)42-35/h1-25H.
What are the key properties of N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine?
N-dibenzofuran-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-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,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 170301528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).