3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole

C52H31N3O — CID 169294734

IUPAC3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)c6c5oc5cc7ccccc7cc56)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C52H31N3O/c1-2-16-38(17-3-1)55-46-21-11-9-18-40(46)43-30-37(24-27-47(43)55)50-41-19-8-10-20-45(41)53-52(54-50)42-26-25-39(36-23-22-32-12-4-5-13-33(32)28-36)49-44-29-34-14-6-7-15-35(34)31-48(44)56-51(42)49/h1-31H
InChIKeyCRWLHZPISGSBJS-UHFFFAOYSA-N
MW713.84 g/mol
LogP13.93
Rot. Bonds4

About 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole

3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole (PubChem CID 169294734) has the molecular formula C52H31N3O and a molecular weight of 713.84 g/mol. Its IUPAC name is 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole
PubChem CID169294734
Molecular FormulaC52H31N3O
Molecular Weight713.84 g/mol
Exact Mass713.25
IUPAC Name3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)c6c5oc5cc7ccccc7cc56)nc5ccccc45)ccc32)cc1
InChIInChI=1S/C52H31N3O/c1-2-16-38(17-3-1)55-46-21-11-9-18-40(46)43-30-37(24-27-47(43)55)50-41-19-8-10-20-45(41)53-52(54-50)42-26-25-39(36-23-22-32-12-4-5-13-33(32)28-36)49-44-29-34-14-6-7-15-35(34)31-48(44)56-51(42)49/h1-31H
InChIKeyCRWLHZPISGSBJS-UHFFFAOYSA-N
XLogP13.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.84
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-(4-naphthalen-2-ylquinazolin-2-yl)-4-phenylphenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134531489
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
12-[4-(4-phenylquinazolin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 167424223
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
CID 162489011
3-[9-(4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163486477
3-[7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342726
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 167377389
5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532
2-(4-naphthalen-2-ylphenyl)-4-(6-phenylnaphtho[1,2-b][1]benzofuran-8-yl)quinazoline
CID 169048893
9-carbazol-9-yl-5-[7-(2-dibenzofuran-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375561

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole (CID 169294734) is 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6ccc7ccccc7c6)c6c5oc5cc7ccccc7cc56)nc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole?
The InChIKey is CRWLHZPISGSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O/c1-2-16-38(17-3-1)55-46-21-11-9-18-40(46)43-30-37(24-27-47(43)55)50-41-19-8-10-20-45(41)53-52(54-50)42-26-25-39(36-23-22-32-12-4-5-13-33(32)28-36)49-44-29-34-14-6-7-15-35(34)31-48(44)56-51(42)49/h1-31H.
What are the key properties of 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole?
3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole has a molecular weight of 713.84 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)quinazolin-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 169294734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).