4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole

C46H27N3O — CID 142571530

IUPAC4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c43)nc3ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-29(14-3-1)43-36-18-8-9-23-39(36)47-46(48-43)49-40-27-31-16-5-4-15-30(31)26-38(40)34-20-10-19-33(44(34)49)35-21-11-22-37-42-32-17-7-6-12-28(32)24-25-41(42)50-45(35)37/h1-27H
InChIKeyRUUSPEDWKMODQH-UHFFFAOYSA-N
MW637.74 g/mol
LogP12.27
Rot. Bonds3

About 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole

4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 142571530) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID142571530
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c43)nc3ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-29(14-3-1)43-36-18-8-9-23-39(36)47-46(48-43)49-40-27-31-16-5-4-15-30(31)26-38(40)34-20-10-19-33(44(34)49)35-21-11-22-37-42-32-17-7-6-12-28(32)24-25-41(42)50-45(35)37/h1-27H
InChIKeyRUUSPEDWKMODQH-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-8-ylbenzo[b]carbazole
CID 142569825
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
2-(1-naphtho[2,1-b][1]benzofuran-8-ylcarbazol-9-yl)-4-phenylbenzo[h]quinazoline
CID 142569844
4-(3-dibenzofuran-1-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568029
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
9-dibenzofuran-4-yl-12-(4-phenylquinazolin-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 129149709
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
ethane;4-naphtho[2,1-b][1]benzofuran-10-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570080
11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[a]carbazole
CID 142569684

Frequently Asked Questions

What is the IUPAC name of 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole (CID 142571530) is 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc6c5oc5ccc7ccccc7c56)c43)nc3ccccc23)cc1.
What is the InChIKey of 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is RUUSPEDWKMODQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-2-13-29(14-3-1)43-36-18-8-9-23-39(36)47-46(48-43)49-40-27-31-16-5-4-15-30(31)26-38(40)34-20-10-19-33(44(34)49)35-21-11-22-37-42-32-17-7-6-12-28(32)24-25-41(42)50-45(35)37/h1-27H.
What are the key properties of 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole?
4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 637.74 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 142571530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).