4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine

C54H35N3O — CID 166511396

IUPAC4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nc(-c4cc(-c5ccccc5)cc5c4oc4cc6ccccc6cc45)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-4-14-36(15-5-1)39-24-28-44(29-25-39)57(45-30-26-40(27-31-45)37-16-6-2-7-17-37)54-55-50-23-13-12-22-46(50)52(56-54)49-34-43(38-18-8-3-9-19-38)33-48-47-32-41-20-10-11-21-42(41)35-51(47)58-53(48)49/h1-35H
InChIKeyTVZAIDFYFCAAJP-UHFFFAOYSA-N
MW741.89 g/mol
LogP14.82
Rot. Bonds7

About 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine

4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine (PubChem CID 166511396) has the molecular formula C54H35N3O and a molecular weight of 741.89 g/mol. Its IUPAC name is 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine
PubChem CID166511396
Molecular FormulaC54H35N3O
Molecular Weight741.89 g/mol
Exact Mass741.28
IUPAC Name4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nc(-c4cc(-c5ccccc5)cc5c4oc4cc6ccccc6cc45)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C54H35N3O/c1-4-14-36(15-5-1)39-24-28-44(29-25-39)57(45-30-26-40(27-31-45)37-16-6-2-7-17-37)54-55-50-23-13-12-22-46(50)52(56-54)49-34-43(38-18-8-3-9-19-38)33-48-47-32-41-20-10-11-21-42(41)35-51(47)58-53(48)49/h1-35H
InChIKeyTVZAIDFYFCAAJP-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

Analyze 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine with MolForge

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Related Compounds

N,4-diphenyl-N-[4-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]phenyl]aniline
CID 166511583
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-(2,6-diphenylpyrimidin-4-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166974751
N-[4-(4-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-N,4-diphenylaniline
CID 140919148
N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine
CID 156564501
N-(2,4-diphenylphenyl)-4-phenyl-N-(4-phenylphenyl)quinazolin-2-amine
CID 148573772
N-[4-(4-naphtho[2,3-b][1]benzofuran-2-ylquinazolin-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166511407
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
4-(4-phenylphenyl)-2-[10-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]quinazoline
CID 166867337
10-phenyl-7-[4-(4-phenylnaphtho[2,3-b][1]benzofuran-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 156564267
N,N-bis(4-phenylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26-tridecaen-9-amine
CID 155361287

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine?
The IUPAC name of 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine (CID 166511396) is 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine.
What is the SMILES notation for 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine?
The canonical SMILES for 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nc(-c4cc(-c5ccccc5)cc5c4oc4cc6ccccc6cc45)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine?
The InChIKey is TVZAIDFYFCAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O/c1-4-14-36(15-5-1)39-24-28-44(29-25-39)57(45-30-26-40(27-31-45)37-16-6-2-7-17-37)54-55-50-23-13-12-22-46(50)52(56-54)49-34-43(38-18-8-3-9-19-38)33-48-47-32-41-20-10-11-21-42(41)35-51(47)58-53(48)49/h1-35H.
What are the key properties of 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine?
4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine 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 4-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-N,N-bis(4-phenylphenyl)quinazolin-2-amine is sourced from PubChem (CID 166511396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).