N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline

C56H35N3O2 — CID 167143510

IUPACN-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c5c(c4)oc4cc6ccccc6cc45)c3)cc2)cc1
InChIInChI=1S/C56H35N3O2/c1-4-15-36(16-5-1)37-27-29-44(30-28-37)59(43-22-8-3-9-23-43)45-24-14-21-39(31-45)42-33-48(52-47-32-40-19-10-11-20-41(40)34-50(47)60-51(52)35-42)56-57-53(38-17-6-2-7-18-38)55-54(58-56)46-25-12-13-26-49(46)61-55/h1-35H
InChIKeyWFQFLNULDLWMEU-UHFFFAOYSA-N
MW781.92 g/mol
LogP15.57
Rot. Bonds7

About N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline

N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline (PubChem CID 167143510) has the molecular formula C56H35N3O2 and a molecular weight of 781.92 g/mol. Its IUPAC name is N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline
PubChem CID167143510
Molecular FormulaC56H35N3O2
Molecular Weight781.92 g/mol
Exact Mass781.27
IUPAC NameN-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c5c(c4)oc4cc6ccccc6cc45)c3)cc2)cc1
InChIInChI=1S/C56H35N3O2/c1-4-15-36(16-5-1)37-27-29-44(30-28-37)59(43-22-8-3-9-23-43)45-24-14-21-39(31-45)42-33-48(52-47-32-40-19-10-11-20-41(40)34-50(47)60-51(52)35-42)56-57-53(38-17-6-2-7-18-38)55-54(58-56)46-25-12-13-26-49(46)61-55/h1-35H
InChIKeyWFQFLNULDLWMEU-UHFFFAOYSA-N
XLogP15.57
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-naphthalen-2-yl-3-(4-phenylphenyl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170092712
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092511
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309273
3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline
CID 167424184
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
N-[4-[1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 170093258
3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;3-[3-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 158904441
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
2-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 167144570

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline (CID 167143510) is N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c5c(c4)oc4cc6ccccc6cc45)c3)cc2)cc1.
What is the InChIKey of N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is WFQFLNULDLWMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O2/c1-4-15-36(16-5-1)37-27-29-44(30-28-37)59(43-22-8-3-9-23-43)45-24-14-21-39(31-45)42-33-48(52-47-32-40-19-10-11-20-41(40)34-50(47)60-51(52)35-42)56-57-53(38-17-6-2-7-18-38)55-54(58-56)46-25-12-13-26-49(46)61-55/h1-35H.
What are the key properties of N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline?
N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 781.92 g/mol, XLogP of 15.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[1-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167143510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).