N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C54H35N3O — CID 166511371

IUPACN-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-3-11-36(12-4-1)38-19-27-43(28-20-38)57(44-29-21-39(22-30-44)37-13-5-2-6-14-37)45-31-23-41(24-32-45)54-55-50-18-10-9-17-48(50)52(56-54)42-26-34-51-49(35-42)47-33-25-40-15-7-8-16-46(40)53(47)58-51/h1-35H
InChIKeyZWZBJFHQZKUJBQ-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.82
Rot. Bonds7

About N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 166511371) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID166511371
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC NameN-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5n4)cc3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-3-11-36(12-4-1)38-19-27-43(28-20-38)57(44-29-21-39(22-30-44)37-13-5-2-6-14-37)45-31-23-41(24-32-45)54-55-50-18-10-9-17-48(50)52(56-54)42-26-34-51-49(35-42)47-33-25-40-15-7-8-16-46(40)53(47)58-51/h1-35H
InChIKeyZWZBJFHQZKUJBQ-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-naphtho[1,2-b][1]benzofuran-2-yl-2-[4-(4-phenylphenyl)phenyl]quinazoline
CID 155326645
N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166511407
3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline
CID 167424184
2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
2-(4-naphthalen-2-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-2-ylphenyl)quinazoline
CID 155326671
N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
CID 166511583
2-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinazoline
CID 169048893
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
4-[3-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 142293803

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 166511371) is N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4nc(-c5ccc6oc7c8ccccc8ccc7c6c5)c5ccccc5n4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ZWZBJFHQZKUJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-3-11-36(12-4-1)38-19-27-43(28-20-38)57(44-29-21-39(22-30-44)37-13-5-2-6-14-37)45-31-23-41(24-32-45)54-55-50-18-10-9-17-48(50)52(56-54)42-26-34-51-49(35-42)47-33-25-40-15-7-8-16-46(40)53(47)58-51/h1-35H.
What are the key properties of N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)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-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166511371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).