4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene

C34H22N2 — CID 164778968

IUPAC4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene
SMILESc1ccc(-c2ccc3c(n2)-c2nc(-c4ccccc4)ccc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C34H22N2/c1-3-11-23(12-4-1)31-21-19-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30-20-22-32(24-13-5-2-6-14-24)36-34(30)33(29)35-31/h1-22H/b26-25-,29-27-,30-28-,34-33-
InChIKeyRGLMRUAQCWZNPJ-NVFGSBIOSA-N
MW458.56 g/mol
LogP8.79
Rot. Bonds2

About 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene

4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene (PubChem CID 164778968) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene.

Molecular Properties

Compound Name4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene
PubChem CID164778968
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene
SMILESc1ccc(-c2ccc3c(n2)-c2nc(-c4ccccc4)ccc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C34H22N2/c1-3-11-23(12-4-1)31-21-19-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30-20-22-32(24-13-5-2-6-14-24)36-34(30)33(29)35-31/h1-22H/b26-25-,29-27-,30-28-,34-33-
InChIKeyRGLMRUAQCWZNPJ-NVFGSBIOSA-N
XLogP8.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene 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

2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
3-bromo-2,6-diphenylpyridine
CID 56839636
2-chloro-3,6-diphenylpyridine
CID 165358662
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-(1,3-diphenylisoquinolin-8-yl)-9-phenyl-1,10-phenanthroline
CID 176785200
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
2-bromo-6-phenyl-3-(4-phenylphenyl)pyridine
CID 142746925
7-bromo-2-phenylquinoline-5,8-dione
CID 142429724
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline
CID 134167459
2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
CID 176785134

Frequently Asked Questions

What is the IUPAC name of 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene?
The IUPAC name of 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene (CID 164778968) is 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene.
What is the SMILES notation for 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene?
The canonical SMILES for 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene is c1ccc(-c2ccc3c(n2)-c2nc(-c4ccccc4)ccc2-c2ccccc2-c2ccccc2-3)cc1.
What is the InChIKey of 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene?
The InChIKey is RGLMRUAQCWZNPJ-NVFGSBIOSA-N. The full InChI is InChI=1S/C34H22N2/c1-3-11-23(12-4-1)31-21-19-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30-20-22-32(24-13-5-2-6-14-24)36-34(30)33(29)35-31/h1-22H/b26-25-,29-27-,30-28-,34-33-.
What are the key properties of 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene?
4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene has a molecular weight of 458.56 g/mol, XLogP of 8.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene is sourced from PubChem (CID 164778968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).