6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene

C21H19N — CID 140693393

IUPAC6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
SMILESc1ccc(-c2ccc3cc4c(cc3n2)C2CCC4CC2)cc1
InChIInChI=1S/C21H19N/c1-2-4-16(5-3-1)20-11-10-17-12-18-14-6-8-15(9-7-14)19(18)13-21(17)22-20/h1-5,10-15H,6-9H2
InChIKeySCDLQZOOYKCPIO-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.66
Rot. Bonds1

About 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene

6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene (PubChem CID 140693393) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene.

Molecular Properties

Compound Name6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
PubChem CID140693393
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
SMILESc1ccc(-c2ccc3cc4c(cc3n2)C2CCC4CC2)cc1
InChIInChI=1S/C21H19N/c1-2-4-16(5-3-1)20-11-10-17-12-18-14-6-8-15(9-7-14)19(18)13-21(17)22-20/h1-5,10-15H,6-9H2
InChIKeySCDLQZOOYKCPIO-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene 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-phenylbenzo[g]quinoline
CID 45113076
N-methyl-2-phenylquinolin-7-amine
CID 142776720
6-phenyl-[1,3]dioxolo[4,5-g]quinoline
CID 11953752
6-phenyl-5,8-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-2,4,6,8,10-pentaene
CID 118232243
iridium;tris(2-phenylquinoline)
CID 122129463
2-phenylindeno[1,2-g]quinolin-10-one
CID 154625605
6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline
CID 159254745
6-ethynyl-2-phenylquinoline
CID 174753499
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
6-(4-fluorophenyl)-2-phenylquinoline
CID 122365285
2-chloro-3-cyclopropylquinoline
CID 14001233
[4-(2-phenylquinolin-3-yl)cyclohexyl]methanamine
CID 57455208

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene?
The IUPAC name of 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene (CID 140693393) is 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene.
What is the SMILES notation for 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene?
The canonical SMILES for 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene is c1ccc(-c2ccc3cc4c(cc3n2)C2CCC4CC2)cc1.
What is the InChIKey of 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene?
The InChIKey is SCDLQZOOYKCPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-4-16(5-3-1)20-11-10-17-12-18-14-6-8-15(9-7-14)19(18)13-21(17)22-20/h1-5,10-15H,6-9H2.
What are the key properties of 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene?
6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene has a molecular weight of 285.39 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene is sourced from PubChem (CID 140693393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).