6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C40H27N3O — CID 160643943

IUPAC6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCc1cc(Oc2ccc3c4c5c(ccc4n(-c4ccccn4)c3c2)Cc2ccccc2-5)cc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C40H27N3O/c1-25-18-30(35-22-26-8-2-3-10-29(26)24-42-35)21-32(19-25)44-31-14-15-34-37(23-31)43(38-12-6-7-17-41-38)36-16-13-28-20-27-9-4-5-11-33(27)39(28)40(34)36/h2-19,21-24H,20H2,1H3
InChIKeySTJZMYLZNXICHQ-UHFFFAOYSA-N
MW565.68 g/mol
LogP10.07
Rot. Bonds4

About 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 160643943) has the molecular formula C40H27N3O and a molecular weight of 565.68 g/mol. Its IUPAC name is 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID160643943
Molecular FormulaC40H27N3O
Molecular Weight565.68 g/mol
Exact Mass565.22
IUPAC Name6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCc1cc(Oc2ccc3c4c5c(ccc4n(-c4ccccn4)c3c2)Cc2ccccc2-5)cc(-c2cc3ccccc3cn2)c1
InChIInChI=1S/C40H27N3O/c1-25-18-30(35-22-26-8-2-3-10-29(26)24-42-35)21-32(19-25)44-31-14-15-34-37(23-31)43(38-12-6-7-17-41-38)36-16-13-28-20-27-9-4-5-11-33(27)39(28)40(34)36/h2-19,21-24H,20H2,1H3
InChIKeySTJZMYLZNXICHQ-UHFFFAOYSA-N
XLogP10.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-8-pyridin-2-yl-6-[(9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)oxy]-[1]benzofuro[2,3-b]pyridine
CID 159911696
CID 161392453
CID 161392453
2-[6-[9-(5-methyl-4-phenyl-2-pyridinyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl]-2-pyridinyl]phenol
CID 157483052
2-(3-cinnolin-3-yl-5-phenylphenoxy)-9-pyridin-2-ylcarbazole
CID 153465697
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
9-[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-ol
CID 157483049
6-[3-(9-pyridin-2-ylcarbazol-2-yl)oxy-5-(2,4,6-trimethylphenyl)phenyl]-5H-imidazo[1,2-c]quinazoline
CID 162771944
9-[3-(2-methylphenyl)phenyl]-7-pyridin-2-ylbenzo[c]carbazole
CID 90175626
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
2-(2,6-dimethylphenyl)-7-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-5-isocyanophenoxy]-9-pyridin-2-ylcarbazole
CID 155636022

Frequently Asked Questions

What is the IUPAC name of 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 160643943) is 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is Cc1cc(Oc2ccc3c4c5c(ccc4n(-c4ccccn4)c3c2)Cc2ccccc2-5)cc(-c2cc3ccccc3cn2)c1.
What is the InChIKey of 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is STJZMYLZNXICHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3O/c1-25-18-30(35-22-26-8-2-3-10-29(26)24-42-35)21-32(19-25)44-31-14-15-34-37(23-31)43(38-12-6-7-17-41-38)36-16-13-28-20-27-9-4-5-11-33(27)39(28)40(34)36/h2-19,21-24H,20H2,1H3.
What are the key properties of 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 565.68 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-isoquinolin-3-yl-5-methylphenoxy)-9-pyridin-2-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 160643943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).