2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine

C52H32N2S — CID 174328840

IUPAC2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4cc(-c5cc(-c6ccc7ccccc7c6)c6c(c5)sc5ccccc56)nc(-c5ccc6ccccc6c5)n4)cc3)ccc2c1
InChIInChI=1S/C52H32N2S/c1-4-12-38-27-41(24-19-33(38)9-1)36-17-22-37(23-18-36)47-32-48(54-52(53-47)43-26-21-35-11-3-6-14-40(35)29-43)44-30-46(42-25-20-34-10-2-5-13-39(34)28-42)51-45-15-7-8-16-49(45)55-50(51)31-44/h1-32H
InChIKeyFDUZLMIHEQUQKO-UHFFFAOYSA-N
MW716.91 g/mol
LogP14.64
Rot. Bonds5

About 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine

2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine (PubChem CID 174328840) has the molecular formula C52H32N2S and a molecular weight of 716.91 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine
PubChem CID174328840
Molecular FormulaC52H32N2S
Molecular Weight716.91 g/mol
Exact Mass716.23
IUPAC Name2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4cc(-c5cc(-c6ccc7ccccc7c6)c6c(c5)sc5ccccc56)nc(-c5ccc6ccccc6c5)n4)cc3)ccc2c1
InChIInChI=1S/C52H32N2S/c1-4-12-38-27-41(24-19-33(38)9-1)36-17-22-37(23-18-36)47-32-48(54-52(53-47)43-26-21-35-11-3-6-14-40(35)29-43)44-30-46(42-25-20-34-10-2-5-13-39(34)28-42)51-45-15-7-8-16-49(45)55-50(51)31-44/h1-32H
InChIKeyFDUZLMIHEQUQKO-UHFFFAOYSA-N
XLogP14.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-[4-(1-phenyldibenzothiophen-3-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174328770
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 174328334
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-(3-phenylphenyl)pyrimidine
CID 171584997
2,4-di(dibenzothiophen-3-yl)-6-(3-naphthalen-2-yl-5-phenylphenyl)pyrimidine
CID 138729846
2,4-diphenyl-6-[4-[1-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]phenyl]pyrimidine
CID 142453376
4-naphthalen-2-yl-2-(1-naphthalen-2-yldibenzothiophen-3-yl)quinazoline
CID 174328845
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 171585223
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
4-naphthalen-2-yl-2-(3-naphthalen-2-yldibenzothiophen-1-yl)quinazoline
CID 174328544
2-[1-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142453320
2-(4-dibenzothiophen-1-ylphenyl)-4,6-bis(3-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-1-ylphenyl)-6-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4-(3-dibenzothiophen-1-ylphenyl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 159439837
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171585034

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine?
The IUPAC name of 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine (CID 174328840) is 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine is c1ccc2cc(-c3ccc(-c4cc(-c5cc(-c6ccc7ccccc7c6)c6c(c5)sc5ccccc56)nc(-c5ccc6ccccc6c5)n4)cc3)ccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine?
The InChIKey is FDUZLMIHEQUQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2S/c1-4-12-38-27-41(24-19-33(38)9-1)36-17-22-37(23-18-36)47-32-48(54-52(53-47)43-26-21-35-11-3-6-14-40(35)29-43)44-30-46(42-25-20-34-10-2-5-13-39(34)28-42)51-45-15-7-8-16-49(45)55-50(51)31-44/h1-32H.
What are the key properties of 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine?
2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine has a molecular weight of 716.91 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzothiophen-3-yl)-6-(4-naphthalen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 174328840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).