2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine

C38H26N4 — CID 175213647

IUPAC2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cc(-c5ccccc5)cc(-c5cccnc5-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C38H26N4/c1-4-11-27(12-5-1)29-18-20-31(21-19-29)37-40-26-41-38(42-37)34-24-32(28-13-6-2-7-14-28)23-33(25-34)35-17-10-22-39-36(35)30-15-8-3-9-16-30/h1-26H
InChIKeyRPBTWQWAVQRIRO-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.27
Rot. Bonds6

About 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine

2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 175213647) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine
PubChem CID175213647
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ncnc(-c4cc(-c5ccccc5)cc(-c5cccnc5-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C38H26N4/c1-4-11-27(12-5-1)29-18-20-31(21-19-29)37-40-26-41-38(42-37)34-24-32(28-13-6-2-7-14-28)23-33(25-34)35-17-10-22-39-36(35)30-15-8-3-9-16-30/h1-26H
InChIKeyRPBTWQWAVQRIRO-UHFFFAOYSA-N
XLogP9.27
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
2-[3-(4-phenylnaphthalen-1-yl)-5-pyridin-4-ylphenyl]-4-(4-phenylphenyl)-1,3,5-triazine
CID 175201640
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
4-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-2,6-diphenylpyridine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenylpyrimidine;2-[3-[3-(3,5-diphenylphenyl)phenyl]-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,6-diphenyl-4-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine;4,6-diphenyl-2-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-phenyl-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-[3-phenyl-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167686674
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine (CID 175213647) is 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ncnc(-c4cc(-c5ccccc5)cc(-c5cccnc5-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine?
The InChIKey is RPBTWQWAVQRIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-4-11-27(12-5-1)29-18-20-31(21-19-29)37-40-26-41-38(42-37)34-24-32(28-13-6-2-7-14-28)23-33(25-34)35-17-10-22-39-36(35)30-15-8-3-9-16-30/h1-26H.
What are the key properties of 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine?
2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 538.65 g/mol, XLogP of 9.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 175213647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).