10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole

C46H27N3O — CID 142570112

IUPAC10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-n3c4c(-c5ccc6c(c5)oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-30(14-3-1)43-37-17-8-9-20-39(37)47-46(48-43)49-44-33-16-7-5-12-29(33)21-24-36(44)35-19-10-18-34(45(35)49)31-22-25-38-41(27-31)50-40-26-23-28-11-4-6-15-32(28)42(38)40/h1-27H
InChIKeyBKIYDKUDTKLKQN-UHFFFAOYSA-N
MW637.74 g/mol
LogP12.27
Rot. Bonds3

About 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole

10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole (PubChem CID 142570112) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole.

Molecular Properties

Compound Name10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
PubChem CID142570112
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-n3c4c(-c5ccc6c(c5)oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C46H27N3O/c1-2-13-30(14-3-1)43-37-17-8-9-20-39(37)47-46(48-43)49-44-33-16-7-5-12-29(33)21-24-36(44)35-19-10-18-34(45(35)49)31-22-25-38-41(27-31)50-40-26-23-28-11-4-6-15-32(28)42(38)40/h1-27H
InChIKeyBKIYDKUDTKLKQN-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

11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[a]carbazole
CID 142569684
10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
9-dibenzofuran-2-yl-19-(4-phenylquinazolin-2-yl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 140913947
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole;ethane
CID 142571694
3-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-3-azaheptacyclo[15.12.0.02,14.04,13.05,10.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 163789043
4-naphtho[2,1-b][1]benzofuran-8-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142571530
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzofuran-8-ylbenzo[a]carbazole;ethane
CID 142571552
ethane;9-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzofuran-9-ylcarbazole
CID 142571463
4-(3-dibenzofuran-1-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568029

Frequently Asked Questions

What is the IUPAC name of 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The IUPAC name of 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole (CID 142570112) is 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole.
What is the SMILES notation for 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The canonical SMILES for 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole is c1ccc(-c2nc(-n3c4c(-c5ccc6c(c5)oc5ccc7ccccc7c56)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The InChIKey is BKIYDKUDTKLKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-2-13-30(14-3-1)43-37-17-8-9-20-39(37)47-46(48-43)49-44-33-16-7-5-12-29(33)21-24-36(44)35-19-10-18-34(45(35)49)31-22-25-38-41(27-31)50-40-26-23-28-11-4-6-15-32(28)42(38)40/h1-27H.
What are the key properties of 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]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 10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole is sourced from PubChem (CID 142570112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).