11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole

C40H25N3O — CID 118502539

IUPAC11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-11-26(12-4-1)34-21-29(22-35(42-34)27-13-5-2-6-14-27)28-19-20-40(41-25-28)43-36-17-9-7-15-30(36)32-24-39-33(23-37(32)43)31-16-8-10-18-38(31)44-39/h1-25H
InChIKeyDUCDUFHVXYKBDT-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.47
Rot. Bonds4

About 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole

11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 118502539) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID118502539
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-11-26(12-4-1)34-21-29(22-35(42-34)27-13-5-2-6-14-27)28-19-20-40(41-25-28)43-36-17-9-7-15-30(36)32-24-39-33(23-37(32)43)31-16-8-10-18-38(31)44-39/h1-25H
InChIKeyDUCDUFHVXYKBDT-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 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]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

12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118488607
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118502886
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118488600
3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 90086397
11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154044
9-(5-phenyl-2-pyridinyl)furo[3,2-b]carbazole
CID 123532687
7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 70851639
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
CID 163750210
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118488603
12-[5-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-22-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 160930895

Frequently Asked Questions

What is the IUPAC name of 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole (CID 118502539) is 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is DUCDUFHVXYKBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-3-11-26(12-4-1)34-21-29(22-35(42-34)27-13-5-2-6-14-27)28-19-20-40(41-25-28)43-36-17-9-7-15-30(36)32-24-39-33(23-37(32)43)31-16-8-10-18-38(31)44-39/h1-25H.
What are the key properties of 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]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 11-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 118502539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).