10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione

C29H18N4O2 — CID 170401406

IUPAC10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione
SMILESO=c1c2c3ccccc3n(-c3ccccc3)c2nc2c3ccccc3n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C29H18N4O2/c34-28-25-21-15-7-9-17-23(21)31(19-11-3-1-4-12-19)27(25)30-26-22-16-8-10-18-24(22)32(29(35)33(26)28)20-13-5-2-6-14-20/h1-18H
InChIKeyNXBZOGMBGJOSPA-UHFFFAOYSA-N
MW454.49 g/mol
LogP5.10
Rot. Bonds2

About 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione

10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione (PubChem CID 170401406) has the molecular formula C29H18N4O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione.

Molecular Properties

Compound Name10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione
PubChem CID170401406
Molecular FormulaC29H18N4O2
Molecular Weight454.49 g/mol
Exact Mass454.14
IUPAC Name10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione
SMILESO=c1c2c3ccccc3n(-c3ccccc3)c2nc2c3ccccc3n(-c3ccccc3)c(=O)n12
InChIInChI=1S/C29H18N4O2/c34-28-25-21-15-7-9-17-23(21)31(19-11-3-1-4-12-19)27(25)30-26-22-16-8-10-18-24(22)32(29(35)33(26)28)20-13-5-2-6-14-20/h1-18H
InChIKeyNXBZOGMBGJOSPA-UHFFFAOYSA-N
XLogP5.10
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione with MolForge

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Related Compounds

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CID 156863141
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
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1,3-diphenylbenzimidazol-2-one
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1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone
CID 135059905
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
2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione
CID 122491563
5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one
CID 164776263
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one
CID 155152609
4,9-diphenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628960
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CID 15939260

Frequently Asked Questions

What is the IUPAC name of 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione?
The IUPAC name of 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione (CID 170401406) is 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione.
What is the SMILES notation for 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione?
The canonical SMILES for 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione is O=c1c2c3ccccc3n(-c3ccccc3)c2nc2c3ccccc3n(-c3ccccc3)c(=O)n12.
What is the InChIKey of 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione?
The InChIKey is NXBZOGMBGJOSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4O2/c34-28-25-21-15-7-9-17-23(21)31(19-11-3-1-4-12-19)27(25)30-26-22-16-8-10-18-24(22)32(29(35)33(26)28)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione?
10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione has a molecular weight of 454.49 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione is sourced from PubChem (CID 170401406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).