3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline

C54H33N3O2 — CID 167424184

IUPAC3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)c4c(c3)oc3c5ccccc5ccc34)c2)cc1
InChIInChI=1S/C54H33N3O2/c1-3-16-38(17-4-1)57(39-18-5-2-6-19-39)40-20-13-15-35(30-40)37-32-46(51-44-28-26-34-14-7-8-21-41(34)53(44)59-50(51)33-37)54-55-47-24-11-9-23-43(47)52(56-54)36-27-29-49-45(31-36)42-22-10-12-25-48(42)58-49/h1-33H
InChIKeyKWUFFNGURKOYEU-UHFFFAOYSA-N
MW755.88 g/mol
LogP15.05
Rot. Bonds6

About 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline

3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline (PubChem CID 167424184) has the molecular formula C54H33N3O2 and a molecular weight of 755.88 g/mol. Its IUPAC name is 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline
PubChem CID167424184
Molecular FormulaC54H33N3O2
Molecular Weight755.88 g/mol
Exact Mass755.26
IUPAC Name3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2cccc(-c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)c4c(c3)oc3c5ccccc5ccc34)c2)cc1
InChIInChI=1S/C54H33N3O2/c1-3-16-38(17-4-1)57(39-18-5-2-6-19-39)40-20-13-15-35(30-40)37-32-46(51-44-28-26-34-14-7-8-21-41(34)53(44)59-50(51)33-37)54-55-47-24-11-9-23-43(47)52(56-54)36-27-29-49-45(31-36)42-22-10-12-25-48(42)58-49/h1-33H
InChIKeyKWUFFNGURKOYEU-UHFFFAOYSA-N
XLogP15.05
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.88
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167331100
N-[4-(4-naphtho[1,2-b][1]benzofuran-8-ylquinazolin-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166511371
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166938977
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(4-phenylphenyl)aniline
CID 167329609
4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330854
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
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167329469
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939002
3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167424279
N-phenyl-N-(4-phenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-amine
CID 171597107

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline?
The IUPAC name of 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline (CID 167424184) is 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2cccc(-c3cc(-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)c4c(c3)oc3c5ccccc5ccc34)c2)cc1.
What is the InChIKey of 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline?
The InChIKey is KWUFFNGURKOYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O2/c1-3-16-38(17-4-1)57(39-18-5-2-6-19-39)40-20-13-15-35(30-40)37-32-46(51-44-28-26-34-14-7-8-21-41(34)53(44)59-50(51)33-37)54-55-47-24-11-9-23-43(47)52(56-54)36-27-29-49-45(31-36)42-22-10-12-25-48(42)58-49/h1-33H.
What are the key properties of 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline?
3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline has a molecular weight of 755.88 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-dibenzofuran-2-ylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 167424184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).