2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine

C104H72N4 — CID 158882806

IUPAC2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H40N2.C46H32N2/c1-4-18-41(19-5-1)43-32-36-45(37-33-43)48-24-10-12-26-50(48)52-28-14-16-30-54(52)56-40-57(60-58(59-56)47-22-8-3-9-23-47)55-31-17-15-29-53(55)51-27-13-11-25-49(51)46-38-34-44(35-39-46)42-20-6-2-7-21-42;1-4-14-33(15-5-1)35-24-28-37(29-25-35)40-20-10-12-22-42(40)45-32-44(39-18-8-3-9-19-39)47-46(48-45)43-23-13-11-21-41(43)38-30-26-36(27-31-38)34-16-6-2-7-17-34/h1-40H;1-32H
InChIKeyJDFWYRZYWZFAOG-UHFFFAOYSA-N
MW1377.75 g/mol
LogP27.63
Rot. Bonds16

About 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine

2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine (PubChem CID 158882806) has the molecular formula C104H72N4 and a molecular weight of 1377.75 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
PubChem CID158882806
Molecular FormulaC104H72N4
Molecular Weight1377.75 g/mol
Exact Mass1376.58
IUPAC Name2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C58H40N2.C46H32N2/c1-4-18-41(19-5-1)43-32-36-45(37-33-43)48-24-10-12-26-50(48)52-28-14-16-30-54(52)56-40-57(60-58(59-56)47-22-8-3-9-23-47)55-31-17-15-29-53(55)51-27-13-11-25-49(51)46-38-34-44(35-39-46)42-20-6-2-7-21-42;1-4-14-33(15-5-1)35-24-28-37(29-25-35)40-20-10-12-22-42(40)45-32-44(39-18-8-3-9-19-39)47-46(48-45)43-23-13-11-21-41(43)38-30-26-36(27-31-38)34-16-6-2-7-17-34/h1-40H;1-32H
InChIKeyJDFWYRZYWZFAOG-UHFFFAOYSA-N
XLogP27.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001377.75
LogP ≤ 527.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(2-phenylphenyl)-6-[4-[2-[2-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 167202425
2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129099147
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
4,6-bis(4-phenylphenyl)-2-[4-(2,4,5-triphenylphenyl)phenyl]pyrimidine
CID 175754260
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
4-[4-(2-chlorophenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170004607
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
4-(2,4-diphenylphenyl)-6-(3-phenylphenyl)-2-[2-(4-phenylphenyl)phenyl]pyrimidine
CID 171052547
2,4-diphenyl-6-[2-[2-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-4-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 171832621
2,4-diphenyl-6-[3-[3-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154613809
4-[2-[4-(3,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyridine;2-[2-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[2-[3-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[3-[4-[4-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine;4-[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 158423872
2-phenyl-4-(2-phenylphenyl)-6-[4-[11-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]pyrimidine
CID 165151570

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine (CID 158882806) is 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine is c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine?
The InChIKey is JDFWYRZYWZFAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2.C46H32N2/c1-4-18-41(19-5-1)43-32-36-45(37-33-43)48-24-10-12-26-50(48)52-28-14-16-30-54(52)56-40-57(60-58(59-56)47-22-8-3-9-23-47)55-31-17-15-29-53(55)51-27-13-11-25-49(51)46-38-34-44(35-39-46)42-20-6-2-7-21-42;1-4-14-33(15-5-1)35-24-28-37(29-25-35)40-20-10-12-22-42(40)45-32-44(39-18-8-3-9-19-39)47-46(48-45)43-23-13-11-21-41(43)38-30-26-36(27-31-38)34-16-6-2-7-17-34/h1-40H;1-32H.
What are the key properties of 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine?
2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine has a molecular weight of 1377.75 g/mol, XLogP of 27.63, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis[2-[2-(4-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[2-(4-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 158882806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).