3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C40H24N4 — CID 118564641

IUPAC3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1ccc2cc(/C3=N/c4cc5ccccc5cc4/C(c4cc5ccccc5cn4)=N\c4cc5ccccc5cc43)ncc2c1
InChIInChI=1S/C40H24N4/c1-3-11-27-19-35-33(17-25(27)9-1)39(37-21-29-13-5-7-15-31(29)23-41-37)44-36-20-28-12-4-2-10-26(28)18-34(36)40(43-35)38-22-30-14-6-8-16-32(30)24-42-38/h1-24H/b39-33-,40-34-,43-35-,43-40+,44-36-,44-39+
InChIKeyUMSMIRTVBUKHNT-VBADJVGHSA-N
MW560.66 g/mol
LogP9.74
Rot. Bonds2

About 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 118564641) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
PubChem CID118564641
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1ccc2cc(/C3=N/c4cc5ccccc5cc4/C(c4cc5ccccc5cn4)=N\c4cc5ccccc5cc43)ncc2c1
InChIInChI=1S/C40H24N4/c1-3-11-27-19-35-33(17-25(27)9-1)39(37-21-29-13-5-7-15-31(29)23-41-37)44-36-20-28-12-4-2-10-26(28)18-34(36)40(43-35)38-22-30-14-6-8-16-32(30)24-42-38/h1-24H/b39-33-,40-34-,43-35-,43-40+,44-36-,44-39+
InChIKeyUMSMIRTVBUKHNT-VBADJVGHSA-N
XLogP9.74
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene with MolForge

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
Benzo(F)Quinoline
CID 6796
Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
5-Methyl-1,10-phenanthroline
CID 72791
4,7-Phenanthroline
CID 67472
5,6-Dimethyl-1,10-phenanthroline
CID 76357
Benzo(h)quinoline
CID 9191
Dibenz(a,c)acridine
CID 9165
7,9-Dimethylbenz(c)acridine
CID 13757
6,6'-Biquinoline
CID 620711
Quinoprazine
CID 159481

Frequently Asked Questions

What is the IUPAC name of 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 118564641) is 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is c1ccc2cc(/C3=N/c4cc5ccccc5cc4/C(c4cc5ccccc5cn4)=N\c4cc5ccccc5cc43)ncc2c1.
What is the InChIKey of 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is UMSMIRTVBUKHNT-VBADJVGHSA-N. The full InChI is InChI=1S/C40H24N4/c1-3-11-27-19-35-33(17-25(27)9-1)39(37-21-29-13-5-7-15-31(29)23-41-37)44-36-20-28-12-4-2-10-26(28)18-34(36)40(43-35)38-22-30-14-6-8-16-32(30)24-42-38/h1-24H/b39-33-,40-34-,43-35-,43-40+,44-36-,44-39+.
What are the key properties of 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 560.66 g/mol, XLogP of 9.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-di(isoquinolin-3-yl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 118564641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).