7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline

C63H41N5 — CID 122415943

IUPAC7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccc6cccnc6c5)cc(-c5ccc6cccnc6c5)c4)n3)c2)cc1
InChIInChI=1S/C63H41N5/c1-5-15-42(16-6-1)50-31-51(43-17-7-2-8-18-43)35-56(34-50)61-66-62(57-36-52(44-19-9-3-10-20-44)32-53(37-57)45-21-11-4-12-22-45)68-63(67-61)58-38-54(48-27-25-46-23-13-29-64-59(46)40-48)33-55(39-58)49-28-26-47-24-14-30-65-60(47)41-49/h1-41H
InChIKeySVZLOKKDAZMLIV-UHFFFAOYSA-N
MW868.06 g/mol
LogP15.97
Rot. Bonds9

About 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline

7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline (PubChem CID 122415943) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline.

Molecular Properties

Compound Name7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
PubChem CID122415943
Molecular FormulaC63H41N5
Molecular Weight868.06 g/mol
Exact Mass867.34
IUPAC Name7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccc6cccnc6c5)cc(-c5ccc6cccnc6c5)c4)n3)c2)cc1
InChIInChI=1S/C63H41N5/c1-5-15-42(16-6-1)50-31-51(43-17-7-2-8-18-43)35-56(34-50)61-66-62(57-36-52(44-19-9-3-10-20-44)32-53(37-57)45-21-11-4-12-22-45)68-63(67-61)58-38-54(48-27-25-46-23-13-29-64-59(46)40-48)33-55(39-58)49-28-26-47-24-14-30-65-60(47)41-49/h1-41H
InChIKeySVZLOKKDAZMLIV-UHFFFAOYSA-N
XLogP15.97
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.06
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-quinolin-7-ylphenyl]quinoline
CID 118582329
7-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]quinoline
CID 167339318
4-quinolin-7-ylbenzoic acid
CID 81224662
2-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]acridine;8-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline;7-[4-[3,5-di(anthracen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoxaline
CID 159939622
2,4-bis(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine;2-[3,5-bis(4-naphthalen-2-ylphenyl)phenyl]naphthalene;2-naphthalen-2-yl-4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 163792749
3-quinolin-7-ylbenzoic acid
CID 81224892
7-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)pyrimidin-2-yl]quinoline
CID 118372291
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
7-[4-[3,8-diphenyl-6-(4-phenyl-6-quinolin-7-yl-1,3,5-triazin-2-yl)pyren-1-yl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 146230629
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
7-[6'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 164793113
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline?
The IUPAC name of 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline (CID 122415943) is 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline.
What is the SMILES notation for 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline?
The canonical SMILES for 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5ccc6cccnc6c5)cc(-c5ccc6cccnc6c5)c4)n3)c2)cc1.
What is the InChIKey of 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline?
The InChIKey is SVZLOKKDAZMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-5-15-42(16-6-1)50-31-51(43-17-7-2-8-18-43)35-56(34-50)61-66-62(57-36-52(44-19-9-3-10-20-44)32-53(37-57)45-21-11-4-12-22-45)68-63(67-61)58-38-54(48-27-25-46-23-13-29-64-59(46)40-48)33-55(39-58)49-28-26-47-24-14-30-65-60(47)41-49/h1-41H.
What are the key properties of 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline?
7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline has a molecular weight of 868.06 g/mol, XLogP of 15.97, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-7-ylphenyl]quinoline is sourced from PubChem (CID 122415943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).