4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine

C52H34N2 — CID 59722112

IUPAC4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6cccc7ccccc67)ccc5c(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N2/c1-5-17-36(18-6-1)48-34-49(54-52(53-48)39-23-11-4-12-24-39)41-29-31-45-47(33-41)51(38-21-9-3-10-22-38)44-30-28-40(32-46(44)50(45)37-19-7-2-8-20-37)43-27-15-25-35-16-13-14-26-42(35)43/h1-34H
InChIKeyKJAYYQMTWGCOHZ-UHFFFAOYSA-N
MW686.86 g/mol
LogP13.94
Rot. Bonds6

About 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine

4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine (PubChem CID 59722112) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
PubChem CID59722112
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6cccc7ccccc67)ccc5c(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N2/c1-5-17-36(18-6-1)48-34-49(54-52(53-48)39-23-11-4-12-24-39)41-29-31-45-47(33-41)51(38-21-9-3-10-22-38)44-30-28-40(32-46(44)50(45)37-19-7-2-8-20-37)43-27-15-25-35-16-13-14-26-42(35)43/h1-34H
InChIKeyKJAYYQMTWGCOHZ-UHFFFAOYSA-N
XLogP13.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2,6-diphenylpyrimidine
CID 59722052
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidine;4-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 159564441
4-(4-naphthalen-1-ylphenyl)-6-(7-phenylphenanthren-2-yl)-2-(4-phenylphenyl)pyrimidine
CID 168844850
2-[10-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 135245605
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252

Frequently Asked Questions

What is the IUPAC name of 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine (CID 59722112) is 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6cccc7ccccc67)ccc5c(-c5ccccc5)c4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine?
The InChIKey is KJAYYQMTWGCOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-5-17-36(18-6-1)48-34-49(54-52(53-48)39-23-11-4-12-24-39)41-29-31-45-47(33-41)51(38-21-9-3-10-22-38)44-30-28-40(32-46(44)50(45)37-19-7-2-8-20-37)43-27-15-25-35-16-13-14-26-42(35)43/h1-34H.
What are the key properties of 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine?
4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine has a molecular weight of 686.86 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 59722112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).