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

C54H35N3O — CID 166511583

IUPACN,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cc(-c6ccccc6)c6oc7cc8ccccc8cc7c6c5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-4-14-36(15-5-1)37-24-28-44(29-25-37)57(43-20-8-3-9-21-43)45-30-26-39(27-31-45)54-55-50-23-13-12-22-46(50)52(56-54)42-33-47(38-16-6-2-7-17-38)53-49(34-42)48-32-40-18-10-11-19-41(40)35-51(48)58-53/h1-35H
InChIKeyYQJHAXPJFLRHLH-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.82
Rot. Bonds7

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

N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline (PubChem CID 166511583) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
PubChem CID166511583
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cc(-c6ccccc6)c6oc7cc8ccccc8cc7c6c5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-4-14-36(15-5-1)37-24-28-44(29-25-37)57(43-20-8-3-9-21-43)45-30-26-39(27-31-45)54-55-50-23-13-12-22-46(50)52(56-54)42-33-47(38-16-6-2-7-17-38)53-49(34-42)48-32-40-18-10-11-19-41(40)35-51(48)58-53/h1-35H
InChIKeyYQJHAXPJFLRHLH-UHFFFAOYSA-N
XLogP14.82
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.89
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
CID 166974736
N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,3-diphenylaniline
CID 166974730
N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166511407
4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine
CID 166511396
N,N-diphenyl-4-[2-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]aniline
CID 166974739
N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166511371
N-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166974751
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
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
10-phenyl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 156564267
N-[4-(4-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-N,4-diphenylaniline
CID 140919148
2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 167144229

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline (CID 166511583) is N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4nc(-c5cc(-c6ccccc6)c6oc7cc8ccccc8cc7c6c5)c5ccccc5n4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline?
The InChIKey is YQJHAXPJFLRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-14-36(15-5-1)37-24-28-44(29-25-37)57(43-20-8-3-9-21-43)45-30-26-39(27-31-45)54-55-50-23-13-12-22-46(50)52(56-54)42-33-47(38-16-6-2-7-17-38)53-49(34-42)48-32-40-18-10-11-19-41(40)35-51(48)58-53/h1-35H.
What are the key properties of N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline has a molecular weight of 741.89 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline is sourced from PubChem (CID 166511583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).