4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline

C55H40N4 — CID 130392309

IUPAC4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline
SMILESCC(C)(c1ccc(-c2ccc3nc(-c4ccccn4)cc(-c4ccccc4)c3c2)cc1)c1ccc(-c2ccc3nc(-c4ccccn4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C55H40N4/c1-55(2,43-25-19-37(20-26-43)41-23-29-49-47(33-41)45(39-13-5-3-6-14-39)35-53(58-49)51-17-9-11-31-56-51)44-27-21-38(22-28-44)42-24-30-50-48(34-42)46(40-15-7-4-8-16-40)36-54(59-50)52-18-10-12-32-57-52/h3-36H,1-2H3
InChIKeyICQGVUWNTWNNEH-UHFFFAOYSA-N
MW756.95 g/mol
LogP13.90
Rot. Bonds8

About 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline

4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline (PubChem CID 130392309) has the molecular formula C55H40N4 and a molecular weight of 756.95 g/mol. Its IUPAC name is 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline
PubChem CID130392309
Molecular FormulaC55H40N4
Molecular Weight756.95 g/mol
Exact Mass756.33
IUPAC Name4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline
SMILESCC(C)(c1ccc(-c2ccc3nc(-c4ccccn4)cc(-c4ccccc4)c3c2)cc1)c1ccc(-c2ccc3nc(-c4ccccn4)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C55H40N4/c1-55(2,43-25-19-37(20-26-43)41-23-29-49-47(33-41)45(39-13-5-3-6-14-39)35-53(58-49)51-17-9-11-31-56-51)44-27-21-38(22-28-44)42-24-30-50-48(34-42)46(40-15-7-4-8-16-40)36-54(59-50)52-18-10-12-32-57-52/h3-36H,1-2H3
InChIKeyICQGVUWNTWNNEH-UHFFFAOYSA-N
XLogP13.90
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
CID 135132558
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
4-[4-[1-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]cyclohexyl]phenyl]-2,6-dipyridin-2-ylpyridine;4-[4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]propan-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine;4-(4-phenylphenyl)-2-[4-[1-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]cyclohexyl]phenyl]quinazoline;2-phenyl-4-[4-[1-[4-(2-phenylquinazolin-4-yl)phenyl]cyclohexyl]phenyl]quinazoline;4-phenyl-2-[4-[4-[1-[4-[4-(4-phenylquinolin-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]quinoline;4-pyridin-2-yl-2-[4-[1-[4-(4-pyridin-2-ylquinazolin-2-yl)phenyl]cyclohexyl]phenyl]quinazoline
CID 158963181
2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]pyridine
CID 58028994
2-(4-methoxyphenyl)-6-[2-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-4-phenylquinoline
CID 59685790
2-[4-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028936
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
CID 145340823
CID 145340823
2-[2-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028851
2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4,6-diphenylpyridine
CID 121315369
9-phenyl-3-[2-(9-phenylcarbazol-3-yl)-4-(3-pyridin-2-ylphenyl)quinolin-6-yl]carbazole;9-phenyl-3-[2-(9-phenylcarbazol-3-yl)-4-(4-pyridin-4-ylphenyl)quinolin-6-yl]carbazole
CID 158830021
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline?
The IUPAC name of 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline (CID 130392309) is 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline is CC(C)(c1ccc(-c2ccc3nc(-c4ccccn4)cc(-c4ccccc4)c3c2)cc1)c1ccc(-c2ccc3nc(-c4ccccn4)cc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline?
The InChIKey is ICQGVUWNTWNNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4/c1-55(2,43-25-19-37(20-26-43)41-23-29-49-47(33-41)45(39-13-5-3-6-14-39)35-53(58-49)51-17-9-11-31-56-51)44-27-21-38(22-28-44)42-24-30-50-48(34-42)46(40-15-7-4-8-16-40)36-54(59-50)52-18-10-12-32-57-52/h3-36H,1-2H3.
What are the key properties of 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline?
4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline has a molecular weight of 756.95 g/mol, XLogP of 13.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[4-[2-[4-(4-phenyl-2-pyridin-2-ylquinolin-6-yl)phenyl]propan-2-yl]phenyl]-2-pyridin-2-ylquinoline is sourced from PubChem (CID 130392309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).