8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline

C29H20N4 — CID 143850909

IUPAC8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4cccc5cccnc45)cc3)ccc2-c2ncccn2)cc1
InChIInChI=1S/C29H20N4/c1-2-9-24(10-3-1)33-26(16-17-27(33)29-31-19-6-20-32-29)22-14-12-21(13-15-22)25-11-4-7-23-8-5-18-30-28(23)25/h1-20H
InChIKeyWVYLXVCYTWJBEC-UHFFFAOYSA-N
MW424.51 g/mol
LogP6.82
Rot. Bonds4

About 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline

8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline (PubChem CID 143850909) has the molecular formula C29H20N4 and a molecular weight of 424.51 g/mol. Its IUPAC name is 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline
PubChem CID143850909
Molecular FormulaC29H20N4
Molecular Weight424.51 g/mol
Exact Mass424.17
IUPAC Name8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline
SMILESc1ccc(-n2c(-c3ccc(-c4cccc5cccnc45)cc3)ccc2-c2ncccn2)cc1
InChIInChI=1S/C29H20N4/c1-2-9-24(10-3-1)33-26(16-17-27(33)29-31-19-6-20-32-29)22-14-12-21(13-15-22)25-11-4-7-23-8-5-18-30-28(23)25/h1-20H
InChIKeyWVYLXVCYTWJBEC-UHFFFAOYSA-N
XLogP6.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
mercury;8-phenylquinoline;hydrate
CID 174770535
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59845039
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
N,15-diphenyl-N-(4-quinolin-8-ylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-amine
CID 90306406
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
9-[4-[4-[4-[4-[2-(4-carbazol-9-ylphenyl)-6-(4-quinolin-8-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(6-quinolin-8-yl-3-pyridinyl)pyrimidin-2-yl]phenyl]carbazole
CID 88557966
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641

Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline?
The IUPAC name of 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline (CID 143850909) is 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline.
What is the SMILES notation for 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline?
The canonical SMILES for 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline is c1ccc(-n2c(-c3ccc(-c4cccc5cccnc45)cc3)ccc2-c2ncccn2)cc1.
What is the InChIKey of 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline?
The InChIKey is WVYLXVCYTWJBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4/c1-2-9-24(10-3-1)33-26(16-17-27(33)29-31-19-6-20-32-29)22-14-12-21(13-15-22)25-11-4-7-23-8-5-18-30-28(23)25/h1-20H.
What are the key properties of 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline?
8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline has a molecular weight of 424.51 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-phenyl-5-pyrimidin-2-ylpyrrol-2-yl)phenyl]quinoline is sourced from PubChem (CID 143850909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).