8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole

C52H31N3O — CID 142569722

IUPAC8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(-c3ccc(-c4nc(-n5c6ccc7ccccc7c6c6cccc(-c7ccc8c(c7)oc7ccccc78)c65)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C52H31N3O/c1-3-14-37-32(11-1)13-9-18-38(37)34-23-25-35(26-24-34)50-43-17-5-7-21-45(43)53-52(54-50)55-46-30-28-33-12-2-4-15-39(33)49(46)44-20-10-19-40(51(44)55)36-27-29-42-41-16-6-8-22-47(41)56-48(42)31-36/h1-31H
InChIKeyYIECLAKOWWCBBI-UHFFFAOYSA-N
MW713.84 g/mol
LogP13.93
Rot. Bonds4

About 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole

8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 142569722) has the molecular formula C52H31N3O and a molecular weight of 713.84 g/mol. Its IUPAC name is 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID142569722
Molecular FormulaC52H31N3O
Molecular Weight713.84 g/mol
Exact Mass713.25
IUPAC Name8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(-c3ccc(-c4nc(-n5c6ccc7ccccc7c6c6cccc(-c7ccc8c(c7)oc7ccccc78)c65)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C52H31N3O/c1-3-14-37-32(11-1)13-9-18-38(37)34-23-25-35(26-24-34)50-43-17-5-7-21-45(43)53-52(54-50)55-46-30-28-33-12-2-4-15-39(33)49(46)44-20-10-19-40(51(44)55)36-27-29-42-41-16-6-8-22-47(41)56-48(42)31-36/h1-31H
InChIKeyYIECLAKOWWCBBI-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

8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
12-(4-dibenzofuran-3-ylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361741
11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[a]carbazole
CID 142569684
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 142570283
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-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 131999015
8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570474
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
12-(4-dibenzofuran-2-ylquinazolin-2-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 129149691
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 142569722) is 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole is c1ccc2c(-c3ccc(-c4nc(-n5c6ccc7ccccc7c6c6cccc(-c7ccc8c(c7)oc7ccccc78)c65)nc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is YIECLAKOWWCBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O/c1-3-14-37-32(11-1)13-9-18-38(37)34-23-25-35(26-24-34)50-43-17-5-7-21-45(43)53-52(54-50)55-46-30-28-33-12-2-4-15-39(33)49(46)44-20-10-19-40(51(44)55)36-27-29-42-41-16-6-8-22-47(41)56-48(42)31-36/h1-31H.
What are the key properties of 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole?
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole 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 8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 142569722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).