2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile

C42H26N4O2 — CID 155034855

IUPAC2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1
InChIInChI=1S/C42H26N4O2/c43-27-28-25-33(29-17-21-31(22-18-29)45-35-9-1-5-13-39(35)47-40-14-6-2-10-36(40)45)44-34(26-28)30-19-23-32(24-20-30)46-37-11-3-7-15-41(37)48-42-16-8-4-12-38(42)46/h1-26H
InChIKeyRFNAMWLOBSAVQA-UHFFFAOYSA-N
MW618.70 g/mol
LogP11.44
Rot. Bonds4

About 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile

2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile (PubChem CID 155034855) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
PubChem CID155034855
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1
InChIInChI=1S/C42H26N4O2/c43-27-28-25-33(29-17-21-31(22-18-29)45-35-9-1-5-13-39(35)47-40-14-6-2-10-36(40)45)44-34(26-28)30-19-23-32(24-20-30)46-37-11-3-7-15-41(37)48-42-16-8-4-12-38(42)46/h1-26H
InChIKeyRFNAMWLOBSAVQA-UHFFFAOYSA-N
XLogP11.44
TPSA61.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine;10-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenoxazine
CID 159209827
10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenoxazine;10-[3-phenoxazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine;10-[4-(6-phenyl-2-pyridinyl)phenyl]phenoxazine
CID 159777799
6-[4-(3-phenoxazin-10-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543442
4-(4-phenoxazin-10-ylbenzoyl)benzonitrile
CID 140898234
5-(8-phenoxazin-10-yl-5,12-dihydrotetracen-2-yl)benzene-1,3-dicarbonitrile
CID 139335324
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
5,17-di(phenoxazin-10-yl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-11-carbonitrile
CID 163512312
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122435734
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
CID 118281982
4-[(4-cyanophenyl)-[3,5-di(phenoxazin-10-yl)phenyl]methyl]benzonitrile
CID 154990028
10-[4-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-1-ylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 139306409

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile (CID 155034855) is 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile is N#Cc1cc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)nc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1.
What is the InChIKey of 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
The InChIKey is RFNAMWLOBSAVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c43-27-28-25-33(29-17-21-31(22-18-29)45-35-9-1-5-13-39(35)47-40-14-6-2-10-36(40)45)44-34(26-28)30-19-23-32(24-20-30)46-37-11-3-7-15-41(37)48-42-16-8-4-12-38(42)46/h1-26H.
What are the key properties of 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile?
2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile has a molecular weight of 618.70 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 155034855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).