13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C33H20ClN — CID 122524454

IUPAC13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESClc1ccc(-c2nc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C33H20ClN/c34-25-19-17-24(18-20-25)32-29(22-9-3-1-4-10-22)30-26-15-7-13-21-14-8-16-27(28(21)26)31(30)33(35-32)23-11-5-2-6-12-23/h1-20H
InChIKeyVLUQOSRBNPVZBG-UHFFFAOYSA-N
MW465.98 g/mol
LogP9.54
Rot. Bonds3

About 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 122524454) has the molecular formula C33H20ClN and a molecular weight of 465.98 g/mol. Its IUPAC name is 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID122524454
Molecular FormulaC33H20ClN
Molecular Weight465.98 g/mol
Exact Mass465.13
IUPAC Name13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESClc1ccc(-c2nc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C33H20ClN/c34-25-19-17-24(18-20-25)32-29(22-9-3-1-4-10-22)30-26-15-7-13-21-14-8-16-27(28(21)26)31(30)33(35-32)23-11-5-2-6-12-23/h1-20H
InChIKeyVLUQOSRBNPVZBG-UHFFFAOYSA-N
XLogP9.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524491
4-(11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-13-yl)-N,N-dimethylaniline
CID 122524469
11,14-diphenyl-13-pyridin-2-yl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524523
12-(4-chlorophenyl)acenaphthyleno[2,1-b]quinoline
CID 169081927
13-dibenzothiophen-2-yl-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524500
11,14-diphenyl-13-(9-phenylcarbazol-3-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524487
5,7,8-triphenyl-3,6,10-triazapentacyclo[10.7.1.02,11.04,9.016,20]icosa-1(19),2,4,6,8,10,12,14,16(20),17-decaene
CID 13077773
7-chloro-12-phenylbenzo[k]fluoranthene
CID 15211989
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
CID 159219608
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907

Frequently Asked Questions

What is the IUPAC name of 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 122524454) is 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is Clc1ccc(-c2nc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is VLUQOSRBNPVZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN/c34-25-19-17-24(18-20-25)32-29(22-9-3-1-4-10-22)30-26-15-7-13-21-14-8-16-27(28(21)26)31(30)33(35-32)23-11-5-2-6-12-23/h1-20H.
What are the key properties of 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 465.98 g/mol, XLogP of 9.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4-chlorophenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 122524454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).