2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine

C26H22N2 — CID 72697527

IUPAC2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine
SMILESc1ccc(-c2nccc(-c3cc4ccc3CCc3ccc(cc3)CC4)n2)cc1
InChIInChI=1S/C26H22N2/c1-2-4-23(5-3-1)26-27-17-16-25(28-26)24-18-21-11-10-19-6-8-20(9-7-19)12-14-22(24)15-13-21/h1-9,13,15-18H,10-12,14H2
InChIKeyOYZKGEYLPPTJAT-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.69
Rot. Bonds2

About 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine

2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine (PubChem CID 72697527) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine
PubChem CID72697527
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine
SMILESc1ccc(-c2nccc(-c3cc4ccc3CCc3ccc(cc3)CC4)n2)cc1
InChIInChI=1S/C26H22N2/c1-2-4-23(5-3-1)26-27-17-16-25(28-26)24-18-21-11-10-19-6-8-20(9-7-19)12-14-22(24)15-13-21/h1-9,13,15-18H,10-12,14H2
InChIKeyOYZKGEYLPPTJAT-UHFFFAOYSA-N
XLogP5.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-diphenylpyrimidine;yttrium
CID 59738567
2,4-bis(4-phenylphenyl)pyrimidine
CID 138636531
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128
2,4-diphenylpyrimidine;triphenylene
CID 175536318
2-phenyl-4-[3-[3-[4-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]pyrimidine
CID 178054234
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2,4-bis(3,5-diphenylphenyl)pyrimidine
CID 172850530
4-(2-chloro-4-pyridinyl)-2-phenylpyrimidine
CID 16637811
2-phenyl-4-[4-[4-(6-phenylpyrimidin-4-yl)phenyl]phenyl]pyrimidine
CID 155006921
2-phenyl-4-[5-(trideuteriomethyl)pyrazin-2-yl]pyrimidine
CID 176651996
2-phenyl-4-(3-pyridin-4-ylphenyl)pyrimidine
CID 174849624
4-(1H-imidazol-5-yl)-2-phenylpyrimidine
CID 90707377

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine?
The IUPAC name of 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine (CID 72697527) is 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine.
What is the SMILES notation for 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine?
The canonical SMILES for 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine is c1ccc(-c2nccc(-c3cc4ccc3CCc3ccc(cc3)CC4)n2)cc1.
What is the InChIKey of 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine?
The InChIKey is OYZKGEYLPPTJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-2-4-23(5-3-1)26-27-17-16-25(28-26)24-18-21-11-10-19-6-8-20(9-7-19)12-14-22(24)15-13-21/h1-9,13,15-18H,10-12,14H2.
What are the key properties of 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine?
2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine has a molecular weight of 362.48 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)pyrimidine is sourced from PubChem (CID 72697527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).