4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline

C20H17N3 — CID 142445719

IUPAC4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline
SMILESNc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCC3)cc1
InChIInChI=1S/C20H17N3/c21-13-6-4-12(5-7-13)20-15-3-1-2-14(15)19-16-10-11-22-17(16)8-9-18(19)23-20/h4-11,23H,1-3,21H2
InChIKeyKTMXFLVZRXXXIL-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.45
Rot. Bonds1

About 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline

4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline (PubChem CID 142445719) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline.

Molecular Properties

Compound Name4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline
PubChem CID142445719
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline
SMILESNc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCC3)cc1
InChIInChI=1S/C20H17N3/c21-13-6-4-12(5-7-13)20-15-3-1-2-14(15)19-16-10-11-22-17(16)8-9-18(19)23-20/h4-11,23H,1-3,21H2
InChIKeyKTMXFLVZRXXXIL-UHFFFAOYSA-N
XLogP4.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline 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

4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide
CID 142445291
7-(2-methoxypyrimidin-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
CID 142445280
7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
CID 142445926
4-(9,9-dimethyl-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 142445189
3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)-1H-pyridin-2-one
CID 142445399
7-(4-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)phenol;4-(5,10-diazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(15),2,4,6,8,11-hexaen-11-yl)phenol;2,6-dibromo-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;4-(9-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 163630203
4-imino-3-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)but-2-en-2-amine
CID 174085117
4-(9-ethyl-8-methyl-6H-pyrrolo[3,2-f]quinolin-7-yl)phenol;5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)pyridin-2-amine;5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzene-1,3-diol;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzoic acid;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 163992319
(2E,3Z)-2-ethylidene-N'-hydroxy-5-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)hexa-3,5-dienimidamide
CID 174115878
7-chloro-9-methyl-6H-pyrrolo[3,2-f]quinoline
CID 136921468
4H-pyrrolo[3,2-f]quinazolin-3-amine
CID 146681376
7-(3H-indol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-pyrrolo[3,2-b]pyridin-3-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenesulfonamide;4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzenesulfonamide
CID 161460126

Frequently Asked Questions

What is the IUPAC name of 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline?
The IUPAC name of 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline (CID 142445719) is 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline.
What is the SMILES notation for 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline?
The canonical SMILES for 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline is Nc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCC3)cc1.
What is the InChIKey of 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline?
The InChIKey is KTMXFLVZRXXXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c21-13-6-4-12(5-7-13)20-15-3-1-2-14(15)19-16-10-11-22-17(16)8-9-18(19)23-20/h4-11,23H,1-3,21H2.
What are the key properties of 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline?
4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline has a molecular weight of 299.38 g/mol, XLogP of 4.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,10-diazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),2,4,6,8,11-hexaen-11-yl)aniline is sourced from PubChem (CID 142445719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).