1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine

C46H32N2O — CID 166856777

IUPAC1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)c4c3oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C46H32N2O/c1-5-16-33(17-6-1)34-20-15-27-40(30-34)48(39-25-11-4-12-26-39)43-29-28-42(47(37-21-7-2-8-22-37)38-23-9-3-10-24-38)45-41-31-35-18-13-14-19-36(35)32-44(41)49-46(43)45/h1-32H
InChIKeyJBPXOPATZNWTSS-UHFFFAOYSA-N
MW628.78 g/mol
LogP13.35
Rot. Bonds7

About 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine

1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine (PubChem CID 166856777) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
PubChem CID166856777
Molecular FormulaC46H32N2O
Molecular Weight628.78 g/mol
Exact Mass628.25
IUPAC Name1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)c4c3oc3cc5ccccc5cc34)c2)cc1
InChIInChI=1S/C46H32N2O/c1-5-16-33(17-6-1)34-20-15-27-40(30-34)48(39-25-11-4-12-26-39)43-29-28-42(47(37-21-7-2-8-22-37)38-23-9-3-10-24-38)45-41-31-35-18-13-14-19-36(35)32-44(41)49-46(43)45/h1-32H
InChIKeyJBPXOPATZNWTSS-UHFFFAOYSA-N
XLogP13.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine with MolForge

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Related Compounds

1-N,2-N-diphenyl-1-N,2-N-bis(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,2-diamine
CID 166856790
8-N,11-N-diphenyl-8-N,11-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8,11-diamine
CID 166856795
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-(4-chrysen-3-ylphenyl)-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 170140380
4-naphthalen-2-yl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069783
4-naphthalen-1-yl-N-[3-(4-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069719
4-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-(3-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069229
4-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069608
N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289869
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine (CID 166856777) is 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)c4c3oc3cc5ccccc5cc34)c2)cc1.
What is the InChIKey of 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine?
The InChIKey is JBPXOPATZNWTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-5-16-33(17-6-1)34-20-15-27-40(30-34)48(39-25-11-4-12-26-39)43-29-28-42(47(37-21-7-2-8-22-37)38-23-9-3-10-24-38)45-41-31-35-18-13-14-19-36(35)32-44(41)49-46(43)45/h1-32H.
What are the key properties of 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine?
1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine has a molecular weight of 628.78 g/mol, XLogP of 13.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine is sourced from PubChem (CID 166856777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).