3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline

C50H34N2 — CID 126579046

IUPAC3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5cc6ccccc6c(-c6ccc(-c7ccccc7)nc6)n5)c4)c3)c2)cc1
InChIInChI=1S/C50H34N2/c1-4-14-35(15-5-1)44-30-45(36-16-6-2-7-17-36)32-46(31-44)40-23-12-21-38(28-40)39-22-13-24-42(29-39)49-33-41-20-10-11-25-47(41)50(52-49)43-26-27-48(51-34-43)37-18-8-3-9-19-37/h1-34H
InChIKeyXNMKMSHYTNJDRI-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.30
Rot. Bonds7

About 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline

3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline (PubChem CID 126579046) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline.

Molecular Properties

Compound Name3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline
PubChem CID126579046
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5cc6ccccc6c(-c6ccc(-c7ccccc7)nc6)n5)c4)c3)c2)cc1
InChIInChI=1S/C50H34N2/c1-4-14-35(15-5-1)44-30-45(36-16-6-2-7-17-36)32-46(31-44)40-23-12-21-38(28-40)39-22-13-24-42(29-39)49-33-41-20-10-11-25-47(41)50(52-49)43-26-27-48(51-34-43)37-18-8-3-9-19-37/h1-34H
InChIKeyXNMKMSHYTNJDRI-UHFFFAOYSA-N
XLogP13.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenylphenyl)-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]isoquinoline
CID 126578973
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
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
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]pyridine
CID 159365792
6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819205
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
3-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 140786223
4-[3,5-bis(4-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine;2-(3,5-dinaphthalen-1-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)pyrimidine;2,6-diphenyl-4-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]pyridine
CID 159726197

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline?
The IUPAC name of 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline (CID 126579046) is 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline.
What is the SMILES notation for 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline?
The canonical SMILES for 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5cc6ccccc6c(-c6ccc(-c7ccccc7)nc6)n5)c4)c3)c2)cc1.
What is the InChIKey of 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline?
The InChIKey is XNMKMSHYTNJDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-4-14-35(15-5-1)44-30-45(36-16-6-2-7-17-36)32-46(31-44)40-23-12-21-38(28-40)39-22-13-24-42(29-39)49-33-41-20-10-11-25-47(41)50(52-49)43-26-27-48(51-34-43)37-18-8-3-9-19-37/h1-34H.
What are the key properties of 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline?
3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline has a molecular weight of 662.84 g/mol, XLogP of 13.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(6-phenyl-3-pyridinyl)isoquinoline is sourced from PubChem (CID 126579046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).