2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline

C47H29N5 — CID 118582341

IUPAC2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
SMILESc1ccc2cc(-c3nc(-c4cc(-c5cc6ccccc6cn5)cc(-c5ccc6ccccc6n5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C47H29N5/c1-3-12-33-23-36(19-17-30(33)9-1)45-50-46(37-20-18-31-10-2-4-13-34(31)24-37)52-47(51-45)41-26-39(43-22-21-32-11-7-8-16-42(32)49-43)25-40(27-41)44-28-35-14-5-6-15-38(35)29-48-44/h1-29H
InChIKeyFIPIZIOWXSLBBH-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.61
Rot. Bonds5

About 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline

2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline (PubChem CID 118582341) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline.

Molecular Properties

Compound Name2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
PubChem CID118582341
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
SMILESc1ccc2cc(-c3nc(-c4cc(-c5cc6ccccc6cn5)cc(-c5ccc6ccccc6n5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C47H29N5/c1-3-12-33-23-36(19-17-30(33)9-1)45-50-46(37-20-18-31-10-2-4-13-34(31)24-37)52-47(51-45)41-26-39(43-22-21-32-11-7-8-16-42(32)49-43)25-40(27-41)44-28-35-14-5-6-15-38(35)29-48-44/h1-29H
InChIKeyFIPIZIOWXSLBBH-UHFFFAOYSA-N
XLogP11.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline with MolForge

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Related Compounds

2-[3-[4,6-bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]isoquinoline
CID 118543541
2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline
CID 156900627
3-[3-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786454
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
3-[3-[4-[3-(3,5-diphenylphenyl)-5-phenylphenyl]-6-[3-phenyl-5-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]isoquinoline
CID 140786256
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
3-[3-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline;2-[3-[2,6-bis(3-phenylphenyl)-4-pyridinyl]-5-quinolin-2-ylphenyl]quinoline;3-[3-[2,6-bis(4-pyridin-2-ylphenyl)-4-pyridinyl]-5-isoquinolin-3-ylphenyl]isoquinoline
CID 163983947
2-[4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-(4-quinolin-2-ylphenyl)phenyl]phenyl]quinoline
CID 58382612

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline?
The IUPAC name of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline (CID 118582341) is 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline.
What is the SMILES notation for 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline?
The canonical SMILES for 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline is c1ccc2cc(-c3nc(-c4cc(-c5cc6ccccc6cn5)cc(-c5ccc6ccccc6n5)c4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline?
The InChIKey is FIPIZIOWXSLBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-12-33-23-36(19-17-30(33)9-1)45-50-46(37-20-18-31-10-2-4-13-34(31)24-37)52-47(51-45)41-26-39(43-22-21-32-11-7-8-16-42(32)49-43)25-40(27-41)44-28-35-14-5-6-15-38(35)29-48-44/h1-29H.
What are the key properties of 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline?
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline has a molecular weight of 663.78 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline is sourced from PubChem (CID 118582341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).