N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline

C46H31NO — CID 169296331

IUPACN,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5oc6c(-c7ccccc7)c7ccccc7cc6c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)33-23-27-38(28-24-33)47(37-18-8-3-9-19-37)39-29-25-34(26-30-39)40-21-12-22-43-45(40)42-31-36-17-10-11-20-41(36)44(46(42)48-43)35-15-6-2-7-16-35/h1-31H
InChIKeyDAFDDGULPUNAOM-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline

N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline (PubChem CID 169296331) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
PubChem CID169296331
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5oc6c(-c7ccccc7)c7ccccc7cc6c45)cc3)cc2)cc1
InChIInChI=1S/C46H31NO/c1-4-13-32(14-5-1)33-23-27-38(28-24-33)47(37-18-8-3-9-19-37)39-29-25-34(26-30-39)40-21-12-22-43-45(40)42-31-36-17-10-11-20-41(36)44(46(42)48-43)35-15-6-2-7-16-35/h1-31H
InChIKeyDAFDDGULPUNAOM-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
CID 169295391
N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline
CID 171755293
N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296294
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 155423361
2-phenyl-4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213085
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
6-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169296391
N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline
CID 166975163

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline (CID 169296331) is N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5oc6c(-c7ccccc7)c7ccccc7cc6c45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline?
The InChIKey is DAFDDGULPUNAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-13-32(14-5-1)33-23-27-38(28-24-33)47(37-18-8-3-9-19-37)39-29-25-34(26-30-39)40-21-12-22-43-45(40)42-31-36-17-10-11-20-41(36)44(46(42)48-43)35-15-6-2-7-16-35/h1-31H.
What are the key properties of N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline is sourced from PubChem (CID 169296331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).