4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride

C25H17Cl2N3 — CID 170637480

IUPAC4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride
SMILESClc1cccc(-n2c[n+]3ccc4c5ccccc5[nH]c4c3c2-c2ccccc2)c1.[Cl-]
InChIInChI=1S/C25H17ClN3.ClH/c26-18-9-6-10-19(15-18)29-16-28-14-13-21-20-11-4-5-12-22(20)27-23(21)25(28)24(29)17-7-2-1-3-8-17;/h1-16,27H;1H/q+1;/p-1
InChIKeyWZPHHNSHNCUSBP-UHFFFAOYSA-M
MW430.34 g/mol
LogP3.17
Rot. Bonds2

About 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride

4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride (PubChem CID 170637480) has the molecular formula C25H17Cl2N3 and a molecular weight of 430.34 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride
PubChem CID170637480
Molecular FormulaC25H17Cl2N3
Molecular Weight430.34 g/mol
Exact Mass429.08
IUPAC Name4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride
SMILESClc1cccc(-n2c[n+]3ccc4c5ccccc5[nH]c4c3c2-c2ccccc2)c1.[Cl-]
InChIInChI=1S/C25H17ClN3.ClH/c26-18-9-6-10-19(15-18)29-16-28-14-13-21-20-11-4-5-12-22(20)27-23(21)25(28)24(29)17-7-2-1-3-8-17;/h1-16,27H;1H/q+1;/p-1
InChIKeyWZPHHNSHNCUSBP-UHFFFAOYSA-M
XLogP3.17
TPSA24.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride 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-(4-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene
CID 170637609
4-(3-bromophenyl)-3-(4-chlorophenyl)-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride
CID 170637552
3-(4-bromophenyl)-4-(3-fluorophenyl)-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride
CID 170637495
3-(3-fluorophenyl)-4-(4-fluorophenyl)-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene
CID 175985483
4-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene
CID 175985529
12-bromo-3-(2-bromophenyl)-4-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10(15),11,13-heptaene chloride
CID 170637544
bis(9H-carbazole);1-chloro-3-phenylbenzene;1,3,5-triazine
CID 160708594
4-(4-bromophenyl)-3-(4-chlorophenyl)-4,20-diaza-6-azoniapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene chloride
CID 170637520
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 159800613
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride?
The IUPAC name of 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride (CID 170637480) is 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride.
What is the SMILES notation for 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride?
The canonical SMILES for 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride is Clc1cccc(-n2c[n+]3ccc4c5ccccc5[nH]c4c3c2-c2ccccc2)c1.[Cl-].
What is the InChIKey of 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride?
The InChIKey is WZPHHNSHNCUSBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H17ClN3.ClH/c26-18-9-6-10-19(15-18)29-16-28-14-13-21-20-11-4-5-12-22(20)27-23(21)25(28)24(29)17-7-2-1-3-8-17;/h1-16,27H;1H/q+1;/p-1.
What are the key properties of 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride?
4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride has a molecular weight of 430.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-phenyl-4,16-diaza-6-azoniatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,5,7,10,12,14-heptaene chloride is sourced from PubChem (CID 170637480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).