5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene

C24H17N5 — CID 101378231

IUPAC5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
SMILESc1ccc(-c2ncn3c2-c2ccccc2-n2nnc(-c4ccccc4)c2C3)cc1
InChIInChI=1S/C24H17N5/c1-3-9-17(10-4-1)22-21-15-28-16-25-23(18-11-5-2-6-12-18)24(28)19-13-7-8-14-20(19)29(21)27-26-22/h1-14,16H,15H2
InChIKeyHJMPXBCXNRLITI-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.83
Rot. Bonds2

About 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene

5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene (PubChem CID 101378231) has the molecular formula C24H17N5 and a molecular weight of 375.44 g/mol. Its IUPAC name is 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene.

Molecular Properties

Compound Name5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
PubChem CID101378231
Molecular FormulaC24H17N5
Molecular Weight375.44 g/mol
Exact Mass375.15
IUPAC Name5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
SMILESc1ccc(-c2ncn3c2-c2ccccc2-n2nnc(-c4ccccc4)c2C3)cc1
InChIInChI=1S/C24H17N5/c1-3-9-17(10-4-1)22-21-15-28-16-25-23(18-11-5-2-6-12-18)24(28)19-13-7-8-14-20(19)29(21)27-26-22/h1-14,16H,15H2
InChIKeyHJMPXBCXNRLITI-UHFFFAOYSA-N
XLogP4.83
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
The IUPAC name of 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene (CID 101378231) is 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene.
What is the SMILES notation for 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
The canonical SMILES for 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene is c1ccc(-c2ncn3c2-c2ccccc2-n2nnc(-c4ccccc4)c2C3)cc1.
What is the InChIKey of 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
The InChIKey is HJMPXBCXNRLITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5/c1-3-9-17(10-4-1)22-21-15-28-16-25-23(18-11-5-2-6-12-18)24(28)19-13-7-8-14-20(19)29(21)27-26-22/h1-14,16H,15H2.
What are the key properties of 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene?
5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene has a molecular weight of 375.44 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diphenyl-2,3,4,8,10-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene is sourced from PubChem (CID 101378231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).