1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline

C73H49N3 — CID 153458153

IUPAC1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4nccc5ccccc45)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
InChIInChI=1S/C73H49N3/c1-2-16-50(17-3-1)51-28-30-55(31-29-51)70-49-58(73-67-24-5-4-18-52(67)42-45-76-73)40-41-69(70)68-25-11-10-23-66(68)61-47-59(64-21-8-6-19-62(64)53-32-36-56(37-33-53)71-26-12-14-43-74-71)46-60(48-61)65-22-9-7-20-63(65)54-34-38-57(39-35-54)72-27-13-15-44-75-72/h1-49H
InChIKeyIPNISIUUEMWLCC-UHFFFAOYSA-N
MW968.22 g/mol
LogP19.36
Rot. Bonds11

About 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline

1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline (PubChem CID 153458153) has the molecular formula C73H49N3 and a molecular weight of 968.22 g/mol. Its IUPAC name is 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline.

Molecular Properties

Compound Name1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
PubChem CID153458153
Molecular FormulaC73H49N3
Molecular Weight968.22 g/mol
Exact Mass967.39
IUPAC Name1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
SMILESc1ccc(-c2ccc(-c3cc(-c4nccc5ccccc45)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
InChIInChI=1S/C73H49N3/c1-2-16-50(17-3-1)51-28-30-55(31-29-51)70-49-58(73-67-24-5-4-18-52(67)42-45-76-73)40-41-69(70)68-25-11-10-23-66(68)61-47-59(64-21-8-6-19-62(64)53-32-36-56(37-33-53)71-26-12-14-43-74-71)46-60(48-61)65-22-9-7-20-63(65)54-34-38-57(39-35-54)72-27-13-15-44-75-72/h1-49H
InChIKeyIPNISIUUEMWLCC-UHFFFAOYSA-N
XLogP19.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.22
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline
CID 153458494
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458604
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
10-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-4,6-dimethyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 153458251
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 139394639
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]-5-methylpyridine
CID 153458455
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline?
The IUPAC name of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline (CID 153458153) is 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline.
What is the SMILES notation for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline?
The canonical SMILES for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline is c1ccc(-c2ccc(-c3cc(-c4nccc5ccccc45)ccc3-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)c3)cc2)cc1.
What is the InChIKey of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline?
The InChIKey is IPNISIUUEMWLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H49N3/c1-2-16-50(17-3-1)51-28-30-55(31-29-51)70-49-58(73-67-24-5-4-18-52(67)42-45-76-73)40-41-69(70)68-25-11-10-23-66(68)61-47-59(64-21-8-6-19-62(64)53-32-36-56(37-33-53)71-26-12-14-43-74-71)46-60(48-61)65-22-9-7-20-63(65)54-34-38-57(39-35-54)72-27-13-15-44-75-72/h1-49H.
What are the key properties of 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline?
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline has a molecular weight of 968.22 g/mol, XLogP of 19.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline is sourced from PubChem (CID 153458153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).