N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine

C40H25NO2 — CID 121241785

IUPACN-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H25NO2/c1-2-10-26(11-3-1)29-22-23-36(31-13-5-4-12-30(29)31)41(27-18-20-34-32-14-6-8-16-37(32)42-39(34)24-27)28-19-21-35-33-15-7-9-17-38(33)43-40(35)25-28/h1-25H
InChIKeyUHHOPYMXYQDVCU-UHFFFAOYSA-N
MW551.65 g/mol
LogP11.78
Rot. Bonds4

About N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine (PubChem CID 121241785) has the molecular formula C40H25NO2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
PubChem CID121241785
Molecular FormulaC40H25NO2
Molecular Weight551.65 g/mol
Exact Mass551.19
IUPAC NameN-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C40H25NO2/c1-2-10-26(11-3-1)29-22-23-36(31-13-5-4-12-30(29)31)41(27-18-20-34-32-14-6-8-16-37(32)42-39(34)24-27)28-19-21-35-33-15-7-9-17-38(33)43-40(35)25-28/h1-25H
InChIKeyUHHOPYMXYQDVCU-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-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-dibenzofuran-3-yl-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122906
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589618
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-(4-phenylphenyl)-N-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 155122912
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 156512739
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(2-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 167087254

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine (CID 121241785) is N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
The InChIKey is UHHOPYMXYQDVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO2/c1-2-10-26(11-3-1)29-22-23-36(31-13-5-4-12-30(29)31)41(27-18-20-34-32-14-6-8-16-37(32)42-39(34)24-27)28-19-21-35-33-15-7-9-17-38(33)43-40(35)25-28/h1-25H.
What are the key properties of N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-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-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine is sourced from PubChem (CID 121241785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).