4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

C60H38N2 — CID 168756534

IUPAC4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c6ccccc6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C60H38N2/c1-3-12-39(13-4-1)40-22-30-44(31-23-40)57-38-58(62-60(61-57)46-14-5-2-6-15-46)45-32-24-41(25-33-45)48-36-47-16-7-8-17-49(47)56(37-48)43-28-26-42(27-29-43)50-34-35-55-52-19-10-9-18-51(52)54-21-11-20-53(50)59(54)55/h1-38H
InChIKeyPXMWLBAFPXGPKL-UHFFFAOYSA-N
MW786.98 g/mol
LogP16.10
Rot. Bonds7

About 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 168756534) has the molecular formula C60H38N2 and a molecular weight of 786.98 g/mol. Its IUPAC name is 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID168756534
Molecular FormulaC60H38N2
Molecular Weight786.98 g/mol
Exact Mass786.30
IUPAC Name4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c6ccccc6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C60H38N2/c1-3-12-39(13-4-1)40-22-30-44(31-23-40)57-38-58(62-60(61-57)46-14-5-2-6-15-46)45-32-24-41(25-33-45)48-36-47-16-7-8-17-49(47)56(37-48)43-28-26-42(27-29-43)50-34-35-55-52-19-10-9-18-51(52)54-21-11-20-53(50)59(54)55/h1-38H
InChIKeyPXMWLBAFPXGPKL-UHFFFAOYSA-N
XLogP16.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.98
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344
2-[3-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 168756537
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
4-[2-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170003546
4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 168756342
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130265097
4-[4-[6-(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130263780
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264454
2-(4-fluoranthen-3-ylphenyl)-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130264165
2-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159163792

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 168756534) is 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c6ccccc6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is PXMWLBAFPXGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2/c1-3-12-39(13-4-1)40-22-30-44(31-23-40)57-38-58(62-60(61-57)46-14-5-2-6-15-46)45-32-24-41(25-33-45)48-36-47-16-7-8-17-49(47)56(37-48)43-28-26-42(27-29-43)50-34-35-55-52-19-10-9-18-51(52)54-21-11-20-53(50)59(54)55/h1-38H.
What are the key properties of 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 786.98 g/mol, XLogP of 16.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 168756534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).