4-dibenzofuran-3-yl-9,14-diphenyl-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

C42H26N2O — CID 122599853

IUPAC4-dibenzofuran-3-yl-9,14-diphenyl-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
SMILESc1ccc(-n2c3ccccc3c3c4c5c(-c6ccc7c(c6)oc6ccccc67)cccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-28(13-4-1)43-34-19-9-7-17-33(34)41-36(43)24-25-37-42(41)40-30(18-11-20-35(40)44(37)29-14-5-2-6-15-29)27-22-23-32-31-16-8-10-21-38(31)45-39(32)26-27/h1-26H
InChIKeyQKWXQJVBAJDHQK-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.45
Rot. Bonds3

About 4-dibenzofuran-3-yl-9,14-diphenyl-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

4-dibenzofuran-3-yl-9,14-diphenyl-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 (PubChem CID 122599853) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-9,14-diphenyl-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.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-9,14-diphenyl-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
PubChem CID122599853
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name4-dibenzofuran-3-yl-9,14-diphenyl-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
SMILESc1ccc(-n2c3ccccc3c3c4c5c(-c6ccc7c(c6)oc6ccccc67)cccc5n(-c5ccccc5)c4ccc32)cc1
InChIInChI=1S/C42H26N2O/c1-3-12-28(13-4-1)43-34-19-9-7-17-33(34)41-36(43)24-25-37-42(41)40-30(18-11-20-35(40)44(37)29-14-5-2-6-15-29)27-22-23-32-31-16-8-10-21-38(31)45-39(32)26-27/h1-26H
InChIKeyQKWXQJVBAJDHQK-UHFFFAOYSA-N
XLogP11.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-dibenzofuran-3-yl-9,14-diphenyl-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 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

9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-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 170285118
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-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 134515861
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-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 169015013
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
1-dibenzofuran-3-yl-9-phenylcarbazole
CID 137466533
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-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 169014536
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001
[3-[2-(4-dibenzofuran-3-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588361
9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-14-phenyl-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 169014621
N-(4-dibenzofuran-3-ylphenyl)-N,5,9-triphenylcarbazol-3-amine
CID 169010221

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-9,14-diphenyl-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?
The IUPAC name of 4-dibenzofuran-3-yl-9,14-diphenyl-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 122599853) is 4-dibenzofuran-3-yl-9,14-diphenyl-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.
What is the SMILES notation for 4-dibenzofuran-3-yl-9,14-diphenyl-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?
The canonical SMILES for 4-dibenzofuran-3-yl-9,14-diphenyl-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 is c1ccc(-n2c3ccccc3c3c4c5c(-c6ccc7c(c6)oc6ccccc67)cccc5n(-c5ccccc5)c4ccc32)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-9,14-diphenyl-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?
The InChIKey is QKWXQJVBAJDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-12-28(13-4-1)43-34-19-9-7-17-33(34)41-36(43)24-25-37-42(41)40-30(18-11-20-35(40)44(37)29-14-5-2-6-15-29)27-22-23-32-31-16-8-10-21-38(31)45-39(32)26-27/h1-26H.
What are the key properties of 4-dibenzofuran-3-yl-9,14-diphenyl-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?
4-dibenzofuran-3-yl-9,14-diphenyl-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 has a molecular weight of 574.68 g/mol, XLogP of 11.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-9,14-diphenyl-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 is sourced from PubChem (CID 122599853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).