2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine

C55H39N5 — CID 155484704

IUPAC2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C55H39N5/c1-5-17-38(18-6-1)42-25-13-29-46(33-42)50-37-51(57-54(56-50)48-31-15-26-43(35-48)39-19-7-2-8-20-39)47-30-14-27-44(34-47)45-28-16-32-49(36-45)55-59-52(40-21-9-3-10-22-40)58-53(60-55)41-23-11-4-12-24-41/h1-37,55H,(H,58,59,60)
InChIKeyWYYRMKYTNLVRFE-UHFFFAOYSA-N
MW769.95 g/mol
LogP12.97
Rot. Bonds9

About 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine

2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 155484704) has the molecular formula C55H39N5 and a molecular weight of 769.95 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID155484704
Molecular FormulaC55H39N5
Molecular Weight769.95 g/mol
Exact Mass769.32
IUPAC Name2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C55H39N5/c1-5-17-38(18-6-1)42-25-13-29-46(33-42)50-37-51(57-54(56-50)48-31-15-26-43(35-48)39-19-7-2-8-20-39)47-30-14-27-44(34-47)45-28-16-32-49(36-45)55-59-52(40-21-9-3-10-22-40)58-53(60-55)41-23-11-4-12-24-41/h1-37,55H,(H,58,59,60)
InChIKeyWYYRMKYTNLVRFE-UHFFFAOYSA-N
XLogP12.97
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.95
LogP ≤ 512.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-[3-[2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]phenyl]phenyl]-1,3,5-triazine
CID 166022884
3-[3-[4-[3-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;3-[3-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 159827269
2-[4-[6-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339084
2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163582620
4-[3-[4-phenyl-6-[4-(10-phenylphenanthren-9-yl)phenyl]-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 153394368
2-[3-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]phenyl]-4,9-diphenyl-1,10-phenanthroline
CID 163755710
4,6-diphenyl-2-[3-[3-(14-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 164569224
11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 162498267
2-[1-[4-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166656568
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
4-[4-[4-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]naphthalen-1-yl]aniline
CID 154940521
2,4-bis(3-phenylphenyl)-6-[3-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614371

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 155484704) is 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc(-c4cccc(-c5cc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)c4)c3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is WYYRMKYTNLVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5/c1-5-17-38(18-6-1)42-25-13-29-46(33-42)50-37-51(57-54(56-50)48-31-15-26-43(35-48)39-19-7-2-8-20-39)47-30-14-27-44(34-47)45-28-16-32-49(36-45)55-59-52(40-21-9-3-10-22-40)58-53(60-55)41-23-11-4-12-24-41/h1-37,55H,(H,58,59,60).
What are the key properties of 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 769.95 g/mol, XLogP of 12.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 155484704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).