5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole

C40H25N3O — CID 163673833

IUPAC5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)cc2)cc1
InChIInChI=1S/C40H25N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)29-12-4-5-13-30(29)34-24-25-41-40(42-34)43-35-16-8-6-15-33(35)38-36(43)23-22-32-31-14-7-9-17-37(31)44-39(32)38/h1-25H
InChIKeyJEXIWHIRHDGWGO-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.47
Rot. Bonds4

About 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 163673833) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID163673833
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)cc2)cc1
InChIInChI=1S/C40H25N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)29-12-4-5-13-30(29)34-24-25-41-40(42-34)43-35-16-8-6-15-33(35)38-36(43)23-22-32-31-14-7-9-17-37(31)44-39(32)38/h1-25H
InChIKeyJEXIWHIRHDGWGO-UHFFFAOYSA-N
XLogP10.47
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]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

5-(4-chloropyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 89013113
5-[4-[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163570321
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
24-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5,15-dioxa-24-azaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene
CID 147840992
5-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164932797
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166511989
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
24-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11,15-dioxa-24-azaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.018,23]heptacosa-1(16),2(14),3,5,7,9,12,17(25),18,20,22,26-dodecaene
CID 146281104
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 163673833) is 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2ccc(-c3ccccc3-c3ccnc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)cc2)cc1.
What is the InChIKey of 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is JEXIWHIRHDGWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-2-10-26(11-3-1)27-18-20-28(21-19-27)29-12-4-5-13-30(29)34-24-25-41-40(42-34)43-35-16-8-6-15-33(35)38-36(43)23-22-32-31-14-7-9-17-37(31)44-39(32)38/h1-25H.
What are the key properties of 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 563.66 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163673833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).