N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C46H29NO2 — CID 171737541

IUPACN-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5c6ccccc6ccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)33-23-27-40(39(28-33)31-14-5-2-6-15-31)47(34-24-26-37-36-18-9-10-20-42(36)48-44(37)29-34)41-19-11-21-43-45(41)38-25-22-32-16-7-8-17-35(32)46(38)49-43/h1-29H
InChIKeyFYLDLLRCYSTTLK-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

About N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737541) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737541
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5c6ccccc6ccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)33-23-27-40(39(28-33)31-14-5-2-6-15-31)47(34-24-26-37-36-18-9-10-20-42(36)48-44(37)29-34)41-19-11-21-43-45(41)38-25-22-32-16-7-8-17-35(32)46(38)49-43/h1-29H
InChIKeyFYLDLLRCYSTTLK-UHFFFAOYSA-N
XLogP13.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.74
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739276
N-dibenzofuran-1-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737446
N-(4-dibenzofuran-4-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739445
N-(4-dibenzofuran-1-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737704
N-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737300
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739655
N-(3-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737856
N-(4-dibenzofuran-3-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738298
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738699
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167330637
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167329689

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171737541) is N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5c6ccccc6ccc5c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is FYLDLLRCYSTTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-12-30(13-4-1)33-23-27-40(39(28-33)31-14-5-2-6-15-31)47(34-24-26-37-36-18-9-10-20-42(36)48-44(37)29-34)41-19-11-21-43-45(41)38-25-22-32-16-7-8-17-35(32)46(38)49-43/h1-29H.
What are the key properties of N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 627.74 g/mol, XLogP of 13.44, 5 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-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).