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

C35H26N2 — CID 122524469

IUPAC4-(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
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C35H26N2/c1-37(2)27-21-19-26(20-22-27)34-31(24-11-5-3-6-12-24)32-28-17-9-15-23-16-10-18-29(30(23)28)33(32)35(36-34)25-13-7-4-8-14-25/h3-22H,1-2H3
InChIKeyHRGDSJDICGQECZ-UHFFFAOYSA-N
MW474.61 g/mol
LogP8.95
Rot. Bonds4

About 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

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 (PubChem CID 122524469) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID122524469
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name4-(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
SMILESCN(C)c1ccc(-c2nc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C35H26N2/c1-37(2)27-21-19-26(20-22-27)34-31(24-11-5-3-6-12-24)32-28-17-9-15-23-16-10-18-29(30(23)28)33(32)35(36-34)25-13-7-4-8-14-25/h3-22H,1-2H3
InChIKeyHRGDSJDICGQECZ-UHFFFAOYSA-N
XLogP8.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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
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
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
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
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
4-[2-[4-(dimethylamino)phenyl]acenaphthylen-1-yl]-N,N-dimethylaniline
CID 102433569
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
N,N-diphenyl-4-[12-[4-(N-phenylanilino)phenyl]-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaen-14-yl]aniline
CID 122466274
tetrakis(7,12-diphenylbenzo[k]fluoranthene);ethane;methane
CID 160764907
7,12-bis(4-methylphenyl)-8,11-diphenylbenzo[k]fluoranthene
CID 158890209
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
13-(4-carbazol-9-ylphenyl)-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene;13-[2-(4,5-diphenyl-1,2,4-triazol-3-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;13-[3-(4,5-diphenyl-1,2,4-triazol-3-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;13-[4-(4,5-diphenyl-1,2,4-triazol-3-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 159050294

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)c1ccc(-c2nc(-c3ccccc3)c3c(c2-c2ccccc2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 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?
The InChIKey is HRGDSJDICGQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-37(2)27-21-19-26(20-22-27)34-31(24-11-5-3-6-12-24)32-28-17-9-15-23-16-10-18-29(30(23)28)33(32)35(36-34)25-13-7-4-8-14-25/h3-22H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 474.61 g/mol, XLogP of 8.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122524469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).