8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline

C59H39N3 — CID 166568851

IUPAC8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(ccc7nc(-c8ccccc8)cc(-c8ccccc8)c76)c5)c4)n3)c2)cc1
InChIInChI=1S/C59H39N3/c1-6-17-40(18-7-1)49-35-50(41-19-8-2-9-20-41)37-51(36-49)57-39-56(44-25-14-5-15-26-44)61-59(62-57)48-28-16-27-45(34-48)46-29-31-52-47(33-46)30-32-54-58(52)53(42-21-10-3-11-22-42)38-55(60-54)43-23-12-4-13-24-43/h1-39H
InChIKeyMFKWUXNEBDSMBG-UHFFFAOYSA-N
MW789.98 g/mol
LogP15.51
Rot. Bonds8

About 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline

8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166568851) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
PubChem CID166568851
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC Name8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(ccc7nc(-c8ccccc8)cc(-c8ccccc8)c76)c5)c4)n3)c2)cc1
InChIInChI=1S/C59H39N3/c1-6-17-40(18-7-1)49-35-50(41-19-8-2-9-20-41)37-51(36-49)57-39-56(44-25-14-5-15-26-44)61-59(62-57)48-28-16-27-45(34-48)46-29-31-52-47(33-46)30-32-54-58(52)53(42-21-10-3-11-22-42)38-55(60-54)43-23-12-4-13-24-43/h1-39H
InChIKeyMFKWUXNEBDSMBG-UHFFFAOYSA-N
XLogP15.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568855
8-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
CID 166568654
8-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568890
8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568788
1-phenyl-8-[4-[3-[4-[4-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-3-[3-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 138643638
1,3-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 166568642
1-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-3-phenylbenzo[f]quinoline
CID 146185485
7-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166569102
3-phenyl-1-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[f]quinoline
CID 146185375
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499
1-phenyl-3-[4-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]benzo[f]quinoline
CID 146185379
1-[3-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 146185511

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline (CID 166568851) is 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(ccc7nc(-c8ccccc8)cc(-c8ccccc8)c76)c5)c4)n3)c2)cc1.
What is the InChIKey of 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline?
The InChIKey is MFKWUXNEBDSMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-6-17-40(18-7-1)49-35-50(41-19-8-2-9-20-41)37-51(36-49)57-39-56(44-25-14-5-15-26-44)61-59(62-57)48-28-16-27-45(34-48)46-29-31-52-47(33-46)30-32-54-58(52)53(42-21-10-3-11-22-42)38-55(60-54)43-23-12-4-13-24-43/h1-39H.
What are the key properties of 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline?
8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline has a molecular weight of 789.98 g/mol, XLogP of 15.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166568851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).