11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene

C19H14N4 — CID 123210659

IUPAC11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene
SMILESC1=CC2N(c3ccccc3)c3nccnc3N2c2ccccc21
InChIInChI=1S/C19H14N4/c1-2-7-15(8-3-1)22-17-11-10-14-6-4-5-9-16(14)23(17)19-18(22)20-12-13-21-19/h1-13,17H
InChIKeyVPUYPGBUPCAWOC-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.12
Rot. Bonds1

About 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene

11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene (PubChem CID 123210659) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene.

Molecular Properties

Compound Name11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene
PubChem CID123210659
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene
SMILESC1=CC2N(c3ccccc3)c3nccnc3N2c2ccccc21
InChIInChI=1S/C19H14N4/c1-2-7-15(8-3-1)22-17-11-10-14-6-4-5-9-16(14)23(17)19-18(22)20-12-13-21-19/h1-13,17H
InChIKeyVPUYPGBUPCAWOC-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene with MolForge

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Related Compounds

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2-(1-Imidazolyl)-4-phenyl-6-(4-phenyl-1-piperazinyl)-1,3,5-triazine
CID 1266904
5-Benzyl-2-phenyl-imidazo[4,5-c]pyridine
CID 10379198
2-phenyl-5-[(E)-3-phenylprop-2-enyl]imidazo[4,5-c]pyridine
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4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 10546440
11-Methyl-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
CID 15654859
2-[3-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylaniline
CID 117769475
2-Phenylimidazo[1,2-a]quinoline
CID 828287
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CID 10519608
4-(4-Benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline
CID 10522259
4-(4-Benzylpiperazin-1-yl)-7-fluoropyrrolo[1,2-a]quinoxaline
CID 10594684

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene?
The IUPAC name of 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene (CID 123210659) is 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene.
What is the SMILES notation for 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene?
The canonical SMILES for 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene is C1=CC2N(c3ccccc3)c3nccnc3N2c2ccccc21.
What is the InChIKey of 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene?
The InChIKey is VPUYPGBUPCAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c1-2-7-15(8-3-1)22-17-11-10-14-6-4-5-9-16(14)23(17)19-18(22)20-12-13-21-19/h1-13,17H.
What are the key properties of 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene?
11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene has a molecular weight of 298.35 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,8,12,14,16-heptaene is sourced from PubChem (CID 123210659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).