N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C52H33N3O — CID 166511407

IUPACN-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5n4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H33N3O/c1-2-10-34(11-3-1)36-18-24-42(25-19-36)55(44-28-20-35-12-4-5-13-38(35)30-44)43-26-21-37(22-27-43)52-53-48-17-9-8-16-45(48)51(54-52)41-23-29-49-46(32-41)47-31-39-14-6-7-15-40(39)33-50(47)56-49/h1-33H
InChIKeyHYLPZBBHVKJCMO-UHFFFAOYSA-N
MW715.86 g/mol
LogP14.31
Rot. Bonds6

About N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 166511407) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID166511407
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC NameN-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4nc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5n4)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C52H33N3O/c1-2-10-34(11-3-1)36-18-24-42(25-19-36)55(44-28-20-35-12-4-5-13-38(35)30-44)43-26-21-37(22-27-43)52-53-48-17-9-8-16-45(48)51(54-52)41-23-29-49-46(32-41)47-31-39-14-6-7-15-40(39)33-50(47)56-49/h1-33H
InChIKeyHYLPZBBHVKJCMO-UHFFFAOYSA-N
XLogP14.31
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166511371
N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
CID 166511583
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
CID 170093374
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-naphthalen-2-yl-N-(3-phenylphenyl)-8-(3-phenylquinoxalin-2-yl)dibenzofuran-3-amine
CID 176818100
N,N-dinaphthalen-2-yl-9-(4-phenylquinazolin-2-yl)dibenzofuran-3-amine
CID 171597200
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 176616741
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
N-naphthalen-2-yl-N-(4-phenylphenyl)-1-(4-phenylquinazolin-2-yl)dibenzofuran-4-amine
CID 169048382
N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine
CID 130208137
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 166511407) is N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4nc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5ccccc5n4)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is HYLPZBBHVKJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-2-10-34(11-3-1)36-18-24-42(25-19-36)55(44-28-20-35-12-4-5-13-38(35)30-44)43-26-21-37(22-27-43)52-53-48-17-9-8-16-45(48)51(54-52)41-23-29-49-46(32-41)47-31-39-14-6-7-15-40(39)33-50(47)56-49/h1-33H.
What are the key properties of N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 715.86 g/mol, XLogP of 14.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 166511407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).