8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline

C49H41N5 — CID 171749073

IUPAC8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccccc3-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7cccnc67)cn5)n4)c3)ccc21
InChIInChI=1S/C49H41N5/c1-48(2)26-27-49(3,4)42-30-35(22-24-41(42)48)39-20-9-8-19-38(39)34-16-10-17-36(29-34)46-52-45(33-13-6-5-7-14-33)53-47(54-46)43-25-23-37(31-51-43)40-21-11-15-32-18-12-28-50-44(32)40/h5-25,28-31H,26-27H2,1-4H3
InChIKeyRHUCMNHSQDGLGO-UHFFFAOYSA-N
MW699.90 g/mol
LogP12.17
Rot. Bonds6

About 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline

8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline (PubChem CID 171749073) has the molecular formula C49H41N5 and a molecular weight of 699.90 g/mol. Its IUPAC name is 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline.

Molecular Properties

Compound Name8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline
PubChem CID171749073
Molecular FormulaC49H41N5
Molecular Weight699.90 g/mol
Exact Mass699.34
IUPAC Name8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline
SMILESCC1(C)CCC(C)(C)c2cc(-c3ccccc3-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7cccnc67)cn5)n4)c3)ccc21
InChIInChI=1S/C49H41N5/c1-48(2)26-27-49(3,4)42-30-35(22-24-41(42)48)39-20-9-8-19-38(39)34-16-10-17-36(29-34)46-52-45(33-13-6-5-7-14-33)53-47(54-46)43-25-23-37(31-51-43)40-21-11-15-32-18-12-28-50-44(32)40/h5-25,28-31H,26-27H2,1-4H3
InChIKeyRHUCMNHSQDGLGO-UHFFFAOYSA-N
XLogP12.17
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline with MolForge

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Related Compounds

8-[6-[4-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]quinoline
CID 129265610
2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 171749065
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenyl]quinoline
CID 146190609
2-phenanthren-9-yl-4-(4-phenylphenyl)-6-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171748971
3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline
CID 171459977
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-1,10-phenanthroline
CID 142752628
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 126544539

Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline?
The IUPAC name of 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline (CID 171749073) is 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline.
What is the SMILES notation for 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline?
The canonical SMILES for 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline is CC1(C)CCC(C)(C)c2cc(-c3ccccc3-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7cccnc67)cn5)n4)c3)ccc21.
What is the InChIKey of 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline?
The InChIKey is RHUCMNHSQDGLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N5/c1-48(2)26-27-49(3,4)42-30-35(22-24-41(42)48)39-20-9-8-19-38(39)34-16-10-17-36(29-34)46-52-45(33-13-6-5-7-14-33)53-47(54-46)43-25-23-37(31-51-43)40-21-11-15-32-18-12-28-50-44(32)40/h5-25,28-31H,26-27H2,1-4H3.
What are the key properties of 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline?
8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline has a molecular weight of 699.90 g/mol, XLogP of 12.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-phenyl-6-[3-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-3-pyridinyl]quinoline is sourced from PubChem (CID 171749073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).