2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile

C33H19N5 — CID 122435734

IUPAC2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2)c(C#N)c1
InChIInChI=1S/C33H19N5/c34-20-23-18-25(21-35)33(26(19-23)22-36)24-14-16-28(17-15-24)38-31-12-6-4-10-29(31)37(27-8-2-1-3-9-27)30-11-5-7-13-32(30)38/h1-19H
InChIKeyBMCWQRUSZUJDTH-UHFFFAOYSA-N
MW485.55 g/mol
LogP8.22
Rot. Bonds3

About 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile

2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile (PubChem CID 122435734) has the molecular formula C33H19N5 and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
PubChem CID122435734
Molecular FormulaC33H19N5
Molecular Weight485.55 g/mol
Exact Mass485.16
IUPAC Name2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2)c(C#N)c1
InChIInChI=1S/C33H19N5/c34-20-23-18-25(21-35)33(26(19-23)22-36)24-14-16-28(17-15-24)38-31-12-6-4-10-29(31)37(27-8-2-1-3-9-27)30-11-5-7-13-32(30)38/h1-19H
InChIKeyBMCWQRUSZUJDTH-UHFFFAOYSA-N
XLogP8.22
TPSA77.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
CID 126496826
2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855
4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
2-[2-bromo-4,6-bis[10-(3,5-dimethylphenyl)phenazin-5-yl]phenyl]benzene-1,3,5-tricarbonitrile
CID 155673815
5-[4-(10-oxo-10-phenylphenophosphazinin-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 140898944
4-(4-carbazol-9-ylphenyl)-5-triphenylsilylbenzene-1,3-dicarbonitrile
CID 163556606
4-(2-carbazol-9-ylphenyl)-5-(4-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155080495
2-[4-[3-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543470
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
2-[4-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-3-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122430999
5-[2-[2-(10-phenylphenazin-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
CID 146543106
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile (CID 122435734) is 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cc2)c(C#N)c1.
What is the InChIKey of 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile?
The InChIKey is BMCWQRUSZUJDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N5/c34-20-23-18-25(21-35)33(26(19-23)22-36)24-14-16-28(17-15-24)38-31-12-6-4-10-29(31)37(27-8-2-1-3-9-27)30-11-5-7-13-32(30)38/h1-19H.
What are the key properties of 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile?
2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile has a molecular weight of 485.55 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 122435734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).