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

C52H35NO — CID 169295391

IUPACN,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-13-36(14-5-1)37-25-29-41(30-26-37)50-47-20-11-10-15-42(47)35-48-51-46(21-12-22-49(51)54-52(48)50)40-27-23-38(24-28-40)39-31-33-45(34-32-39)53(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-35H
InChIKeyIJLQWERZEZPGSI-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

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

N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline (PubChem CID 169295391) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
PubChem CID169295391
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c34)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-13-36(14-5-1)37-25-29-41(30-26-37)50-47-20-11-10-15-42(47)35-48-51-46(21-12-22-49(51)54-52(48)50)40-27-23-38(24-28-40)39-31-33-45(34-32-39)53(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-35H
InChIKeyIJLQWERZEZPGSI-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
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,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline (CID 169295391) is N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline is c1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3cccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline?
The InChIKey is IJLQWERZEZPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-13-36(14-5-1)37-25-29-41(30-26-37)50-47-20-11-10-15-42(47)35-48-51-46(21-12-22-49(51)54-52(48)50)40-27-23-38(24-28-40)39-31-33-45(34-32-39)53(43-16-6-2-7-17-43)44-18-8-3-9-19-44/h1-35H.
What are the key properties of N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline?
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline is sourced from PubChem (CID 169295391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).