8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline

C46H32N4 — CID 146647331

IUPAC8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline
SMILESC1=Cc2cccc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4)cc3)c2NC1
InChIInChI=1S/C46H32N4/c1-3-9-36(10-4-1)44-48-45(37-11-5-2-6-12-37)50-46(49-44)38-24-18-32(19-25-38)40-27-21-33-20-26-39(29-41(33)30-40)31-16-22-34(23-17-31)42-15-7-13-35-14-8-28-47-43(35)42/h1-27,29-30,47H,28H2
InChIKeyQBZPOGYUQPKPJU-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.47
Rot. Bonds6

About 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline

8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline (PubChem CID 146647331) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline.

Molecular Properties

Compound Name8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline
PubChem CID146647331
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline
SMILESC1=Cc2cccc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4)cc3)c2NC1
InChIInChI=1S/C46H32N4/c1-3-9-36(10-4-1)44-48-45(37-11-5-2-6-12-37)50-46(49-44)38-24-18-32(19-25-38)40-27-21-33-20-26-39(29-41(33)30-40)31-16-22-34(23-17-31)42-15-7-13-35-14-8-28-47-43(35)42/h1-27,29-30,47H,28H2
InChIKeyQBZPOGYUQPKPJU-UHFFFAOYSA-N
XLogP11.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline with MolForge

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Related Compounds

2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297111
2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297135
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115

Frequently Asked Questions

What is the IUPAC name of 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline?
The IUPAC name of 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline (CID 146647331) is 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline.
What is the SMILES notation for 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline?
The canonical SMILES for 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline is C1=Cc2cccc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5c4)cc3)c2NC1.
What is the InChIKey of 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline?
The InChIKey is QBZPOGYUQPKPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-3-9-36(10-4-1)44-48-45(37-11-5-2-6-12-37)50-46(49-44)38-24-18-32(19-25-38)40-27-21-33-20-26-39(29-41(33)30-40)31-16-22-34(23-17-31)42-15-7-13-35-14-8-28-47-43(35)42/h1-27,29-30,47H,28H2.
What are the key properties of 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline?
8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline has a molecular weight of 640.79 g/mol, XLogP of 11.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline is sourced from PubChem (CID 146647331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).