8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine

C41H25N3O — CID 122599817

IUPAC8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7oc8ccncc8c7c6)ccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C41H25N3O/c1-3-9-28(10-4-1)43-34-14-8-7-13-30(34)40-36(43)18-19-37-41(40)32-24-26(15-17-35(32)44(37)29-11-5-2-6-12-29)27-16-20-38-31(23-27)33-25-42-22-21-39(33)45-38/h1-25H
InChIKeyGKGKAOUDNFFSRL-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.84
Rot. Bonds3

About 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine

8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 122599817) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine
PubChem CID122599817
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7oc8ccncc8c7c6)ccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C41H25N3O/c1-3-9-28(10-4-1)43-34-14-8-7-13-30(34)40-36(43)18-19-37-41(40)32-24-26(15-17-35(32)44(37)29-11-5-2-6-12-29)27-16-20-38-31(23-27)33-25-42-22-21-39(33)45-38/h1-25H
InChIKeyGKGKAOUDNFFSRL-UHFFFAOYSA-N
XLogP10.84
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine (CID 122599817) is 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine is c1ccc(-n2c3ccccc3c3c4c5cc(-c6ccc7oc8ccncc8c7c6)ccc5n(-c5ccccc5)c4ccc32)cc1.
What is the InChIKey of 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is GKGKAOUDNFFSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-9-28(10-4-1)43-34-14-8-7-13-30(34)40-36(43)18-19-37-41(40)32-24-26(15-17-35(32)44(37)29-11-5-2-6-12-29)27-16-20-38-31(23-27)33-25-42-22-21-39(33)45-38/h1-25H.
What are the key properties of 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine?
8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 575.67 g/mol, XLogP of 10.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 122599817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).