6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene

C39H25N3 — CID 90223369

IUPAC6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
SMILESc1ccc(-n2c3ccccc3c3ccc4ccc5c(ccn5-c5ccc(-c6cncc7ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C39H25N3/c1-2-9-30(10-3-1)42-37-13-7-6-12-32(37)33-20-16-27-17-21-36-34(38(27)39(33)42)22-23-41(36)29-18-14-26(15-19-29)35-25-40-24-28-8-4-5-11-31(28)35/h1-25H
InChIKeyJEODOAURDJXDCQ-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.10
Rot. Bonds3

About 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene

6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene (PubChem CID 90223369) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene.

Molecular Properties

Compound Name6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
PubChem CID90223369
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
SMILESc1ccc(-n2c3ccccc3c3ccc4ccc5c(ccn5-c5ccc(-c6cncc7ccccc67)cc5)c4c32)cc1
InChIInChI=1S/C39H25N3/c1-2-9-30(10-3-1)42-37-13-7-6-12-32(37)33-20-16-27-17-21-36-34(38(27)39(33)42)22-23-41(36)29-18-14-26(15-19-29)35-25-40-24-28-8-4-5-11-31(28)35/h1-25H
InChIKeyJEODOAURDJXDCQ-UHFFFAOYSA-N
XLogP10.10
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-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

3-(4-isoquinolin-4-ylphenyl)-6-phenylpyrrolo[2,3-c]carbazole
CID 123386659
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223334
3-phenyl-10-(4-pyren-1-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118314953
17-phenyl-3-(4-pyridin-3-ylphenyl)-3,17-diazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1(13),2(10),4,6,8,11,14(18),15,19-nonaene
CID 90223476
20-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90223272
3-phenyl-10-(4-quinazolin-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 90062451
6-phenyl-20-(4-pyridin-3-yl-2-pyridinyl)-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene
CID 90222773
23-(4-naphthalen-1-ylphenyl)-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 170180127
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
3-phenyl-10-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 90371613
3-phenyl-10-[4-(7-phenyltriphenylen-2-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 118314952

Frequently Asked Questions

What is the IUPAC name of 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?
The IUPAC name of 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene (CID 90223369) is 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene.
What is the SMILES notation for 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?
The canonical SMILES for 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene is c1ccc(-n2c3ccccc3c3ccc4ccc5c(ccn5-c5ccc(-c6cncc7ccccc67)cc5)c4c32)cc1.
What is the InChIKey of 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?
The InChIKey is JEODOAURDJXDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-9-30(10-3-1)42-37-13-7-6-12-32(37)33-20-16-27-17-21-36-34(38(27)39(33)42)22-23-41(36)29-18-14-26(15-19-29)35-25-40-24-28-8-4-5-11-31(28)35/h1-25H.
What are the key properties of 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene?
6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene has a molecular weight of 535.65 g/mol, XLogP of 10.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-isoquinolin-4-ylphenyl)-20-phenyl-6,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),2(10),3(7),4,8,11,14,16,18-nonaene is sourced from PubChem (CID 90223369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).