12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

C40H23N3O2 — CID 130334385

IUPAC12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C40H23N3O2/c1-2-10-25(11-3-1)40-41-36(39-37(42-40)30-14-6-9-17-33(30)45-39)24-18-20-26(21-19-24)43-31-15-7-4-12-27(31)28-22-23-34-35(38(28)43)29-13-5-8-16-32(29)44-34/h1-23H
InChIKeyRJSJVIYDLJHXQZ-UHFFFAOYSA-N
MW577.64 g/mol
LogP10.71
Rot. Bonds3

About 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole

12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 130334385) has the molecular formula C40H23N3O2 and a molecular weight of 577.64 g/mol. Its IUPAC name is 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID130334385
Molecular FormulaC40H23N3O2
Molecular Weight577.64 g/mol
Exact Mass577.18
IUPAC Name12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)c3oc4ccccc4c3n2)cc1
InChIInChI=1S/C40H23N3O2/c1-2-10-25(11-3-1)40-41-36(39-37(42-40)30-14-6-9-17-33(30)45-39)24-18-20-26(21-19-24)43-31-15-7-4-12-27(31)28-22-23-34-35(38(28)43)29-13-5-8-16-32(29)44-34/h1-23H
InChIKeyRJSJVIYDLJHXQZ-UHFFFAOYSA-N
XLogP10.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-2-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333838
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592740
12-[4-(2-phenyl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334115
12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 71291233
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole
CID 163629204
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492
2-[4-(8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaen-23-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130258721
14-(2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidin-8-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134393745
12-[4-(5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140805693
15-(4-phenylphenyl)-24-[4-(4-phenylquinazolin-2-yl)phenyl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 140957550
8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148990639

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 130334385) is 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)c3oc4ccccc4c3n2)cc1.
What is the InChIKey of 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is RJSJVIYDLJHXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O2/c1-2-10-25(11-3-1)40-41-36(39-37(42-40)30-14-6-9-17-33(30)45-39)24-18-20-26(21-19-24)43-31-15-7-4-12-27(31)28-22-23-34-35(38(28)43)29-13-5-8-16-32(29)44-34/h1-23H.
What are the key properties of 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 577.64 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 130334385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).