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

C46H29NO2 — CID 170032999

IUPACN-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3oc5ccccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)34-24-22-32(28-39(34)31-14-5-2-6-15-31)47(33-23-26-44-40(29-33)36-16-7-9-20-42(36)48-44)41-19-11-18-37-35(41)25-27-45-46(37)38-17-8-10-21-43(38)49-45/h1-29H
InChIKeyIFRFOSDQLMUSRF-UHFFFAOYSA-N
MW627.74 g/mol
LogP13.44
Rot. Bonds5

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

N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (PubChem CID 170032999) has the molecular formula C46H29NO2 and a molecular weight of 627.74 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
PubChem CID170032999
Molecular FormulaC46H29NO2
Molecular Weight627.74 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3oc5ccccc5c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)34-24-22-32(28-39(34)31-14-5-2-6-15-31)47(33-23-26-44-40(29-33)36-16-7-9-20-42(36)48-44)41-19-11-18-37-35(41)25-27-45-46(37)38-17-8-10-21-43(38)49-45/h1-29H
InChIKeyIFRFOSDQLMUSRF-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-chrysen-1-yl-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170138112
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N-[4-(4-phenylphenyl)phenyl]-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502864
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301401
N-naphthalen-1-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503063
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
N-phenanthren-1-yl-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]dibenzofuran-2-amine
CID 176820979

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine (CID 170032999) is N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3cccc4c3ccc3oc5ccccc5c34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
The InChIKey is IFRFOSDQLMUSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-12-30(13-4-1)34-24-22-32(28-39(34)31-14-5-2-6-15-31)47(33-23-26-44-40(29-33)36-16-7-9-20-42(36)48-44)41-19-11-18-37-35(41)25-27-45-46(37)38-17-8-10-21-43(38)49-45/h1-29H.
What are the key properties of N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine?
N-dibenzofuran-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-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-2-yl-N-(3,4-diphenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 170032999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).