5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline

C45H31N3 — CID 166831781

IUPAC5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline
SMILESC1=C(c2ccc(-c3cc(-c4cccc(-c5cccc6ncccc56)c4)nc(-c4cccc5ccccc45)n3)cc2)c2ccccc2CC1
InChIInChI=1S/C45H31N3/c1-3-16-36-30(10-1)12-6-18-37(36)32-23-25-33(26-24-32)43-29-44(48-45(47-43)41-20-7-13-31-11-2-4-17-38(31)41)35-15-5-14-34(28-35)39-19-8-22-42-40(39)21-9-27-46-42/h1-5,7-11,13-29H,6,12H2
InChIKeyWNKMEFRVQKITJX-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.22
Rot. Bonds5

About 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline

5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline (PubChem CID 166831781) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline
PubChem CID166831781
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline
SMILESC1=C(c2ccc(-c3cc(-c4cccc(-c5cccc6ncccc56)c4)nc(-c4cccc5ccccc45)n3)cc2)c2ccccc2CC1
InChIInChI=1S/C45H31N3/c1-3-16-36-30(10-1)12-6-18-37(36)32-23-25-33(26-24-32)43-29-44(48-45(47-43)41-20-7-13-31-11-2-4-17-38(31)41)35-15-5-14-34(28-35)39-19-8-22-42-40(39)21-9-27-46-42/h1-5,7-11,13-29H,6,12H2
InChIKeyWNKMEFRVQKITJX-UHFFFAOYSA-N
XLogP11.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;5-[4-[3-[3-[4-phenyl-6-[3-[3-(4-quinolin-5-ylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]quinoline
CID 161207659
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
CID 123694324
5-[2-[4-(7,7-dimethylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-6-phenylpyrimidin-4-yl]quinoline
CID 168777015
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-3-ylpyrimidine
CID 155089111
4-[10-(3,4-dihydronaphthalen-1-yl)anthracen-9-yl]quinoline
CID 88547922
2,4-dinaphthalen-2-yl-6-phenanthren-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-phenanthren-2-yl-4,6-diphenylpyridine;2-phenanthren-2-yl-4,6-diphenylpyrimidine;2-phenanthren-2-yl-4,6-diphenyl-1,3,5-triazine;5-[2-[7-(4-quinolin-5-yl-2-pyridinyl)phenanthren-2-yl]-4-pyridinyl]quinoline
CID 158449062
5-[3-bromo-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]quinoline
CID 151431859
4-[3-(4,6-diphenylpyrimidin-2-yl)-5-quinolin-4-ylphenyl]quinoline
CID 118582443
5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155195979

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline (CID 166831781) is 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline is C1=C(c2ccc(-c3cc(-c4cccc(-c5cccc6ncccc56)c4)nc(-c4cccc5ccccc45)n3)cc2)c2ccccc2CC1.
What is the InChIKey of 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline?
The InChIKey is WNKMEFRVQKITJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-3-16-36-30(10-1)12-6-18-37(36)32-23-25-33(26-24-32)43-29-44(48-45(47-43)41-20-7-13-31-11-2-4-17-38(31)41)35-15-5-14-34(28-35)39-19-8-22-42-40(39)21-9-27-46-42/h1-5,7-11,13-29H,6,12H2.
What are the key properties of 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline?
5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline has a molecular weight of 613.76 g/mol, XLogP of 11.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-naphthalen-1-ylpyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 166831781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).