7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole

C42H25N3O — CID 154947939

IUPAC7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)cccc34)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3O/c1-2-12-26(13-3-1)41-32-16-4-7-20-35(32)43-42(44-41)31-19-10-18-28-27(31)17-11-22-37(28)45-36-21-8-5-14-29(36)33-24-34-30-15-6-9-23-39(30)46-40(34)25-38(33)45/h1-25H
InChIKeyXGUVTBJXBNJOSL-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole

7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 154947939) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID154947939
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)cccc34)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3O/c1-2-12-26(13-3-1)41-32-16-4-7-20-35(32)43-42(44-41)31-19-10-18-28-27(31)17-11-22-37(28)45-36-21-8-5-14-29(36)33-24-34-30-15-6-9-23-39(30)46-40(34)25-38(33)45/h1-25H
InChIKeyXGUVTBJXBNJOSL-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126580313
15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 126677881
9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375982
7-[2-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 140804920
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
15-phenyl-19-(4-phenylquinazolin-2-yl)-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 129142011
5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
CID 146334039
7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]-[1]benzofuro[2,3-b]carbazole
CID 167588833
3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146336134
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
2-(3-naphtho[6,7-b][1]benzofuran-10-ylphenyl)-4-phenylquinazoline
CID 155473823

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole (CID 154947939) is 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3cccc4c(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)cccc34)nc3ccccc23)cc1.
What is the InChIKey of 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is XGUVTBJXBNJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-2-12-26(13-3-1)41-32-16-4-7-20-35(32)43-42(44-41)31-19-10-18-28-27(31)17-11-22-37(28)45-36-21-8-5-14-29(36)33-24-34-30-15-6-9-23-39(30)46-40(34)25-38(33)45/h1-25H.
What are the key properties of 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole?
7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 587.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-phenylquinazolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 154947939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).