N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

C46H29NO2 — CID 170301401

IUPACN-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)OC5=C4C6=CC=CC=C6C(=C5)C7=CC=CC=C7)C8=C9C1=CC=CC=C1OC9=CC=C8
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47(40-19-11-21-43-46(40)37-18-9-10-20-41(37)48-43)34-26-27-42-39(28-34)45-36-17-8-7-16-35(36)38(29-44(45)49-42)32-14-5-2-6-15-32/h1-29H
InChIKeySOGJGOHENQTNHO-UHFFFAOYSA-N
MW627.70 g/mol
LogP13.10
Rot. Bonds5

About N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine

N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (PubChem CID 170301401) has the molecular formula C46H29NO2 and a molecular weight of 627.70 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
PubChem CID170301401
Molecular FormulaC46H29NO2
Molecular Weight627.70 g/mol
Exact Mass627.22
IUPAC NameN-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
SMILESC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)OC5=C4C6=CC=CC=C6C(=C5)C7=CC=CC=C7)C8=C9C1=CC=CC=C1OC9=CC=C8
InChIInChI=1S/C46H29NO2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47(40-19-11-21-43-46(40)37-18-9-10-20-41(37)48-43)34-26-27-42-39(28-34)45-36-17-8-7-16-35(36)38(29-44(45)49-42)32-14-5-2-6-15-32/h1-29H
InChIKeySOGJGOHENQTNHO-UHFFFAOYSA-N
XLogP13.10
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity1090

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.70
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(Benzo[f][1]benzofuran-4-ylamino)phenyl]ethanone
CID 16078960
4-Phenylbenzofuro[3,2-g]quinolin-2-ol
CID 341871
N,N'-bis-dibenzofuran-4-yl-N,N'-bis-(2,5-dimethyl-phenyl)-pyrene-1,6-diamine
CID 121274496
7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
CID 23593088
7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593098
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593201
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593205
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)dibenzofuran-3,7-diamine
CID 23593206
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593209
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593215
3-N-(4-fluorophenyl)-3-N-methyl-7-N-phenyl-7-N-(6,9,9-trimethylfluoren-3-yl)dibenzofuran-3,7-diamine
CID 23593219
N,7-dimethyl-N-[3-(trifluoromethyl)phenyl]dibenzofuran-3-amine
CID 23593247

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine (CID 170301401) is N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)OC5=C4C6=CC=CC=C6C(=C5)C7=CC=CC=C7)C8=C9C1=CC=CC=C1OC9=CC=C8.
What is the InChIKey of N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
The InChIKey is SOGJGOHENQTNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NO2/c1-3-12-30(13-4-1)31-22-24-33(25-23-31)47(40-19-11-21-43-46(40)37-18-9-10-20-41(37)48-43)34-26-27-42-39(28-34)45-36-17-8-7-16-35(36)38(29-44(45)49-42)32-14-5-2-6-15-32/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine?
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine has a molecular weight of 627.70 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine is sourced from PubChem (CID 170301401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).