2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

C67H47N5 — CID 129228006

IUPAC2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESC1=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)cc5)c5ccccc45)c4ccccc34)cc2)NC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C67H47N5/c1-4-18-47(19-5-1)62-43-63(69-64(68-62)49-20-6-2-7-21-49)48-35-31-45(32-36-48)53-39-41-59(57-28-14-12-26-55(53)57)60-42-40-54(56-27-13-15-29-58(56)60)46-33-37-51(38-34-46)66-70-65(50-22-8-3-9-23-50)71-67(72-66)61-30-16-24-44-17-10-11-25-52(44)61/h1-43,62,64,68-69H
InChIKeyIVQCOVJAIRMIFW-UHFFFAOYSA-N
MW922.15 g/mol
LogP16.31
Rot. Bonds9

About 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine

2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 129228006) has the molecular formula C67H47N5 and a molecular weight of 922.15 g/mol. Its IUPAC name is 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID129228006
Molecular FormulaC67H47N5
Molecular Weight922.15 g/mol
Exact Mass921.38
IUPAC Name2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESC1=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)cc5)c5ccccc45)c4ccccc34)cc2)NC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C67H47N5/c1-4-18-47(19-5-1)62-43-63(69-64(68-62)49-20-6-2-7-21-49)48-35-31-45(32-36-48)53-39-41-59(57-28-14-12-26-55(53)57)60-42-40-54(56-27-13-15-29-58(56)60)46-33-37-51(38-34-46)66-70-65(50-22-8-3-9-23-50)71-67(72-66)61-30-16-24-44-17-10-11-25-52(44)61/h1-43,62,64,68-69H
InChIKeyIVQCOVJAIRMIFW-UHFFFAOYSA-N
XLogP16.31
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.15
LogP ≤ 516.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 129228010
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
6-(4-benzo[a]anthracen-4-ylphenyl)-4-dibenzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydropyrimidine
CID 167249702
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[2-[4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099445
2-benzo[a]anthracen-7-yl-4-phenyl-6-[2-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 167252224
2-[3-naphthalen-1-yl-4-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146187509
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 129228006) is 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is C1=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)cc5)c5ccccc45)c4ccccc34)cc2)NC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is IVQCOVJAIRMIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H47N5/c1-4-18-47(19-5-1)62-43-63(69-64(68-62)49-20-6-2-7-21-49)48-35-31-45(32-36-48)53-39-41-59(57-28-14-12-26-55(53)57)60-42-40-54(56-27-13-15-29-58(56)60)46-33-37-51(38-34-46)66-70-65(50-22-8-3-9-23-50)71-67(72-66)61-30-16-24-44-17-10-11-25-52(44)61/h1-43,62,64,68-69H.
What are the key properties of 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 922.15 g/mol, XLogP of 16.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 129228006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).