2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine

C54H58N4 — CID 90938006

IUPAC2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)c(-c3ccc(C(C)(C)C)cc3)c(-c3ncccn3)c(-c3ncccn3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C54H58N4/c1-51(2,3)39-23-15-35(16-24-39)43-44(36-17-25-40(26-18-36)52(4,5)6)46(38-21-29-42(30-22-38)54(10,11)12)48(50-57-33-14-34-58-50)47(49-55-31-13-32-56-49)45(43)37-19-27-41(28-20-37)53(7,8)9/h13-34H,1-12H3
InChIKeyFSXZARZMQYQILA-UHFFFAOYSA-N
MW763.09 g/mol
LogP14.46
Rot. Bonds6

About 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine

2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine (PubChem CID 90938006) has the molecular formula C54H58N4 and a molecular weight of 763.09 g/mol. Its IUPAC name is 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine.

Molecular Properties

Compound Name2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine
PubChem CID90938006
Molecular FormulaC54H58N4
Molecular Weight763.09 g/mol
Exact Mass762.47
IUPAC Name2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine
SMILESCC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)c(-c3ccc(C(C)(C)C)cc3)c(-c3ncccn3)c(-c3ncccn3)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C54H58N4/c1-51(2,3)39-23-15-35(16-24-39)43-44(36-17-25-40(26-18-36)52(4,5)6)46(38-21-29-42(30-22-38)54(10,11)12)48(50-57-33-14-34-58-50)47(49-55-31-13-32-56-49)45(43)37-19-27-41(28-20-37)53(7,8)9/h13-34H,1-12H3
InChIKeyFSXZARZMQYQILA-UHFFFAOYSA-N
XLogP14.46
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.09
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine with MolForge

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Related Compounds

(3S)-7-fluoro-3-pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 46205968
2-[4-[(2,4-Dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 763322
2-[4-[(4-Ethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 791481
2-[4-[(2,5-Dimethylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 792283
2-[4-(9H-Fluoren-1-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 10450082
2-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)pyrimidine
CID 11440849
2-[4-(3''-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 17888044
2-[4-(2''-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 21186098
2-[4-(4''-Fluoro-biphenyl-3-ylmethyl)-piperazin-1-yl]-pyrimidine
CID 21186186
3-Pyridin-4-yl-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 24875236
4-Fluoro-1-(pyridin-4-yl)-1-(3-(pyrimidin-5-yl)phenyl)-1H-isoindol-3-amine
CID 46205967
N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-5-methyl-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167817

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine?
The IUPAC name of 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine (CID 90938006) is 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine.
What is the SMILES notation for 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine?
The canonical SMILES for 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine is CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3)c(-c3ccc(C(C)(C)C)cc3)c(-c3ncccn3)c(-c3ncccn3)c2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine?
The InChIKey is FSXZARZMQYQILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H58N4/c1-51(2,3)39-23-15-35(16-24-39)43-44(36-17-25-40(26-18-36)52(4,5)6)46(38-21-29-42(30-22-38)54(10,11)12)48(50-57-33-14-34-58-50)47(49-55-31-13-32-56-49)45(43)37-19-27-41(28-20-37)53(7,8)9/h13-34H,1-12H3.
What are the key properties of 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine?
2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine has a molecular weight of 763.09 g/mol, XLogP of 14.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4,5-tetrakis(4-tert-butylphenyl)-6-pyrimidin-2-ylphenyl]pyrimidine is sourced from PubChem (CID 90938006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).