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

C52H35NO — CID 170030346

IUPACN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)37-22-27-43(28-23-37)53(45-31-32-46(39-14-6-2-7-15-39)48(35-45)40-16-8-3-9-17-40)44-29-24-38(25-30-44)42-21-20-41-26-33-51-52(49(41)34-42)47-18-10-11-19-50(47)54-51/h1-35H
InChIKeyINCYWCXIBLGZOB-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

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

N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 170030346) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID170030346
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-12-36(13-5-1)37-22-27-43(28-23-37)53(45-31-32-46(39-14-6-2-7-15-39)48(35-45)40-16-8-3-9-17-40)44-29-24-38(25-30-44)42-21-20-41-26-33-51-52(49(41)34-42)47-18-10-11-19-50(47)54-51/h1-35H
InChIKeyINCYWCXIBLGZOB-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-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(3-phenylphenyl)naphthalen-2-amine
CID 170126684
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176616745
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126650
N-(2-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-2-yl-3-phenyl-N-(4-phenylphenyl)aniline
CID 170136482
N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170127172
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-9-amine
CID 177130958
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898
4-naphtho[2,1-b][1]benzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)-N,3-diphenylaniline
CID 170126534
N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164831812
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline (CID 170030346) is N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6oc7ccccc7c6c5c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is INCYWCXIBLGZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-12-36(13-5-1)37-22-27-43(28-23-37)53(45-31-32-46(39-14-6-2-7-15-39)48(35-45)40-16-8-3-9-17-40)44-29-24-38(25-30-44)42-21-20-41-26-33-51-52(49(41)34-42)47-18-10-11-19-50(47)54-51/h1-35H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline?
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)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-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170030346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).