3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione

C37H23N5O2 — CID 156863141

IUPAC3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione
SMILESO=c1c2c3ccccc3n(-c3ccccc3)c2nc2c3c(c4ccccc4n3-c3ccccc3)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C37H23N5O2/c43-36-31-27-20-10-12-22-29(27)40(25-16-6-2-7-17-25)34(31)38-35-33-32(41(37(44)42(35)36)26-18-8-3-9-19-26)28-21-11-13-23-30(28)39(33)24-14-4-1-5-15-24/h1-23H
InChIKeyIBCGVJPPASRBPL-UHFFFAOYSA-N
MW569.62 g/mol
LogP7.04
Rot. Bonds3

About 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione

3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione (PubChem CID 156863141) has the molecular formula C37H23N5O2 and a molecular weight of 569.62 g/mol. Its IUPAC name is 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione.

Molecular Properties

Compound Name3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione
PubChem CID156863141
Molecular FormulaC37H23N5O2
Molecular Weight569.62 g/mol
Exact Mass569.19
IUPAC Name3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione
SMILESO=c1c2c3ccccc3n(-c3ccccc3)c2nc2c3c(c4ccccc4n3-c3ccccc3)n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C37H23N5O2/c43-36-31-27-20-10-12-22-29(27)40(25-16-6-2-7-17-25)34(31)38-35-33-32(41(37(44)42(35)36)26-18-8-3-9-19-26)28-21-11-13-23-30(28)39(33)24-14-4-1-5-15-24/h1-23H
InChIKeyIBCGVJPPASRBPL-UHFFFAOYSA-N
XLogP7.04
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.62
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione with MolForge

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Related Compounds

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CID 170401406
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,20-diphenyl-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-12-one
CID 164786365
11,20-diphenyl-3-(4-phenylquinazolin-2-yl)-3,11,20-triazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,14,16,18-octaen-12-one
CID 164786355
12-phenyl-9,20-bis(4-phenylquinazolin-2-yl)-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,14,16,18-octaen-11-one
CID 164786371
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-diphenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,14,16,18-octaen-12-one
CID 155137834
1,3-diphenylphenanthro[9,10-d]imidazol-2-one
CID 12809593
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
22-(9-phenylcarbazol-4-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212584
7-phenylindolo[2,3-c]isoquinoline
CID 140770399

Frequently Asked Questions

What is the IUPAC name of 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione?
The IUPAC name of 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione (CID 156863141) is 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione.
What is the SMILES notation for 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione?
The canonical SMILES for 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione is O=c1c2c3ccccc3n(-c3ccccc3)c2nc2c3c(c4ccccc4n3-c3ccccc3)n(-c3ccccc3)c(=O)n12.
What is the InChIKey of 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione?
The InChIKey is IBCGVJPPASRBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5O2/c43-36-31-27-20-10-12-22-29(27)40(25-16-6-2-7-17-25)34(31)38-35-33-32(41(37(44)42(35)36)26-18-8-3-9-19-26)28-21-11-13-23-30(28)39(33)24-14-4-1-5-15-24/h1-23H.
What are the key properties of 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione?
3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione has a molecular weight of 569.62 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione is sourced from PubChem (CID 156863141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).