8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile

C35H19N5 — CID 101373867

IUPAC8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile
SMILESN#CC1=C(C#N)C(C#N)=C2c3ccccc3C(c3ccccc3)=C3N2C1=NC3(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H19N5/c36-20-28-29(21-37)32-27-19-11-10-18-26(27)31(23-12-4-1-5-13-23)33-35(24-14-6-2-7-15-24,25-16-8-3-9-17-25)39-34(40(32)33)30(28)22-38/h1-19H
InChIKeyMCNCZNUBRFBJTM-UHFFFAOYSA-N
MW509.57 g/mol
LogP6.71
Rot. Bonds3

About 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile

8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile (PubChem CID 101373867) has the molecular formula C35H19N5 and a molecular weight of 509.57 g/mol. Its IUPAC name is 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile.

Molecular Properties

Compound Name8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile
PubChem CID101373867
Molecular FormulaC35H19N5
Molecular Weight509.57 g/mol
Exact Mass509.16
IUPAC Name8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile
SMILESN#CC1=C(C#N)C(C#N)=C2c3ccccc3C(c3ccccc3)=C3N2C1=NC3(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H19N5/c36-20-28-29(21-37)32-27-19-11-10-18-26(27)31(23-12-4-1-5-13-23)33-35(24-14-6-2-7-15-24,25-16-8-3-9-17-25)39-34(40(32)33)30(28)22-38/h1-19H
InChIKeyMCNCZNUBRFBJTM-UHFFFAOYSA-N
XLogP6.71
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.57
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile 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

5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
5-methylidene-2,6-dioxo-1,4-diphenylpyridine-3-carbonitrile
CID 23558243
5-(2-phenylphenyl)benzene-1,3-dicarbonitrile
CID 126496791
5-amino-2-(4-chlorophenyl)-4-(1,3-dioxoisoindol-2-yl)-3-oxocyclopenta-1,4-diene-1-carbonitrile
CID 11783709
1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
CID 628258
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]benzonitrile
CID 59387179
5-[2-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146542668
5-[2-(10-phenylphenazin-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543497
2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile
CID 58954300
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564

Frequently Asked Questions

What is the IUPAC name of 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile?
The IUPAC name of 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile (CID 101373867) is 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile.
What is the SMILES notation for 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile?
The canonical SMILES for 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile is N#CC1=C(C#N)C(C#N)=C2c3ccccc3C(c3ccccc3)=C3N2C1=NC3(c1ccccc1)c1ccccc1.
What is the InChIKey of 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile?
The InChIKey is MCNCZNUBRFBJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N5/c36-20-28-29(21-37)32-27-19-11-10-18-26(27)31(23-12-4-1-5-13-23)33-35(24-14-6-2-7-15-24,25-16-8-3-9-17-25)39-34(40(32)33)30(28)22-38/h1-19H.
What are the key properties of 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile?
8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile has a molecular weight of 509.57 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10,10-triphenyl-11,16-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,11,13-heptaene-13,14,15-tricarbonitrile is sourced from PubChem (CID 101373867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).