2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine

C58H38Cl2N6 — CID 165041831

IUPAC2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)nc(-c2ccc3ccccc3c2)n1.[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3ccccc3-c3ccccc3)n2)c(-c2ccccc2)c1[2H]
InChIInChI=1S/C31H20ClN3.C27H18ClN3/c32-31-34-29(33-30(35-31)28-17-16-22-10-4-5-11-23(22)19-28)27-15-7-14-26(20-27)25-13-6-12-24(18-25)21-8-2-1-3-9-21;28-27-30-25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)29-26(31-27)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-20H;1-18H/i;7D,9D,15D,17D
InChIKeyOGEMEIFSNNSHQA-KVRNVECFSA-N
MW893.91 g/mol
LogP15.54
Rot. Bonds8

About 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine

2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine (PubChem CID 165041831) has the molecular formula C58H38Cl2N6 and a molecular weight of 893.91 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine
PubChem CID165041831
Molecular FormulaC58H38Cl2N6
Molecular Weight893.91 g/mol
Exact Mass892.28
IUPAC Name2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)nc(-c2ccc3ccccc3c2)n1.[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3ccccc3-c3ccccc3)n2)c(-c2ccccc2)c1[2H]
InChIInChI=1S/C31H20ClN3.C27H18ClN3/c32-31-34-29(33-30(35-31)28-17-16-22-10-4-5-11-23(22)19-28)27-15-7-14-26(20-27)25-13-6-12-24(18-25)21-8-2-1-3-9-21;28-27-30-25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)29-26(31-27)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-20H;1-18H/i;7D,9D,15D,17D
InChIKeyOGEMEIFSNNSHQA-KVRNVECFSA-N
XLogP15.54
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.91
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-chloro-4-(7-phenylnaphthalen-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 170691035
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-naphthalen-2-yl-4-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164991362
2-[3-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-4-(4-phenylnaphthalen-1-yl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine
CID 169040045
2-chloro-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 167454968
2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350
2-chloro-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 171587082
2-chloro-4-naphthalen-2-yl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164745875
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166022207
2-chloro-4-naphthalen-1-yl-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 169039948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine (CID 165041831) is 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine is Clc1nc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)nc(-c2ccc3ccccc3c2)n1.[2H]c1c([2H])c([2H])c(-c2nc(Cl)nc(-c3ccccc3-c3ccccc3)n2)c(-c2ccccc2)c1[2H].
What is the InChIKey of 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine?
The InChIKey is OGEMEIFSNNSHQA-KVRNVECFSA-N. The full InChI is InChI=1S/C31H20ClN3.C27H18ClN3/c32-31-34-29(33-30(35-31)28-17-16-22-10-4-5-11-23(22)19-28)27-15-7-14-26(20-27)25-13-6-12-24(18-25)21-8-2-1-3-9-21;28-27-30-25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)29-26(31-27)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-20H;1-18H/i;7D,9D,15D,17D.
What are the key properties of 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine?
2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine has a molecular weight of 893.91 g/mol, XLogP of 15.54, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-2-yl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-chloro-4-(2-phenylphenyl)-6-(2,3,4,5-tetradeuterio-6-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165041831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).