1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline

C51H35N — CID 126578973

IUPAC1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cc7ccccc7c(-c7cccc(-c8ccccc8)c7)n6)c5)c4)c3)c2)cc1
InChIInChI=1S/C51H35N/c1-3-14-36(15-4-1)38-19-9-21-40(30-38)41-22-10-23-42(31-41)43-24-11-25-44(32-43)45-26-12-27-47(33-45)50-35-46-18-7-8-29-49(46)51(52-50)48-28-13-20-39(34-48)37-16-5-2-6-17-37/h1-35H
InChIKeyVWWDVBRUYKKLMP-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.90
Rot. Bonds7

About 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline

1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline (PubChem CID 126578973) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline.

Molecular Properties

Compound Name1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
PubChem CID126578973
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC Name1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
SMILESc1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cc7ccccc7c(-c7cccc(-c8ccccc8)c7)n6)c5)c4)c3)c2)cc1
InChIInChI=1S/C51H35N/c1-3-14-36(15-4-1)38-19-9-21-40(30-38)41-22-10-23-42(31-41)43-24-11-25-44(32-43)45-26-12-27-47(33-45)50-35-46-18-7-8-29-49(46)51(52-50)48-28-13-20-39(34-48)37-16-5-2-6-17-37/h1-35H
InChIKeyVWWDVBRUYKKLMP-UHFFFAOYSA-N
XLogP13.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline with MolForge

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Related Compounds

1-(3,5-diphenylphenyl)-3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-naphthalen-1-ylphenyl)isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-phenylphenyl)isoquinoline
CID 157287615
3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline
CID 126579046
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
4,6-bis(3-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 89416701
2,3,5-triphenyl-6-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]pyrazine
CID 175619331
2-[4-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)phenyl]-4-(3-phenylphenyl)quinazoline
CID 118641260
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylisoquinoline;2-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 165040763
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline?
The IUPAC name of 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline (CID 126578973) is 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline.
What is the SMILES notation for 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline?
The canonical SMILES for 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline is c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6cc7ccccc7c(-c7cccc(-c8ccccc8)c7)n6)c5)c4)c3)c2)cc1.
What is the InChIKey of 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline?
The InChIKey is VWWDVBRUYKKLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-3-14-36(15-4-1)38-19-9-21-40(30-38)41-22-10-23-42(31-41)43-24-11-25-44(32-43)45-26-12-27-47(33-45)50-35-46-18-7-8-29-49(46)51(52-50)48-28-13-20-39(34-48)37-16-5-2-6-17-37/h1-35H.
What are the key properties of 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline?
1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline has a molecular weight of 661.85 g/mol, XLogP of 13.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline is sourced from PubChem (CID 126578973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).