7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline

C37H23N3 — CID 154599160

IUPAC7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline
SMILESc1ccc2cc3cc(-c4cc(-c5ccc6ccncc6c5)nc(-c5ccc6ccncc6c5)c4)ccc3cc2c1
InChIInChI=1S/C37H23N3/c1-2-4-27-16-32-17-29(8-7-28(32)15-26(27)3-1)33-20-36(30-9-5-24-11-13-38-22-34(24)18-30)40-37(21-33)31-10-6-25-12-14-39-23-35(25)19-31/h1-23H
InChIKeyZGCFLZUAXCXFOX-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.49
Rot. Bonds3

About 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline

7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline (PubChem CID 154599160) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline.

Molecular Properties

Compound Name7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline
PubChem CID154599160
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline
SMILESc1ccc2cc3cc(-c4cc(-c5ccc6ccncc6c5)nc(-c5ccc6ccncc6c5)c4)ccc3cc2c1
InChIInChI=1S/C37H23N3/c1-2-4-27-16-32-17-29(8-7-28(32)15-26(27)3-1)33-20-36(30-9-5-24-11-13-38-22-34(24)18-30)40-37(21-33)31-10-6-25-12-14-39-23-35(25)19-31/h1-23H
InChIKeyZGCFLZUAXCXFOX-UHFFFAOYSA-N
XLogP9.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-[2,6-di(anthracen-2-yl)-4-pyridinyl]isoquinoline
CID 154599146
6-naphthalen-2-ylisoquinoline
CID 59724414
6-(2-anthracen-2-yl-6-isoquinolin-6-ylpyrimidin-4-yl)isoquinoline
CID 154599114
6-[2,6-di(anthracen-9-yl)-4-pyridinyl]isoquinoline
CID 154599243
2,6-dinaphthalen-2-yl-4-(4-pyridin-3-ylphenyl)pyridine
CID 122427561
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
7-[4-[3,5-bis(3-naphthalen-2-ylphenyl)phenyl]-6-isoquinolin-7-yl-1,3,5-triazin-2-yl]isoquinoline
CID 118582433
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
5-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]pyrimidine
CID 129292671
7-[3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]phenyl]isoquinoline
CID 166974763
2-(3,5-dipyridin-4-ylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
CID 118582461
2-isoquinolin-7-ylphenol
CID 68897209

Frequently Asked Questions

What is the IUPAC name of 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline?
The IUPAC name of 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline (CID 154599160) is 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline.
What is the SMILES notation for 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline?
The canonical SMILES for 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline is c1ccc2cc3cc(-c4cc(-c5ccc6ccncc6c5)nc(-c5ccc6ccncc6c5)c4)ccc3cc2c1.
What is the InChIKey of 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline?
The InChIKey is ZGCFLZUAXCXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-2-4-27-16-32-17-29(8-7-28(32)15-26(27)3-1)33-20-36(30-9-5-24-11-13-38-22-34(24)18-30)40-37(21-33)31-10-6-25-12-14-39-23-35(25)19-31/h1-23H.
What are the key properties of 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline?
7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline has a molecular weight of 509.61 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-anthracen-2-yl-6-isoquinolin-7-yl-2-pyridinyl)isoquinoline is sourced from PubChem (CID 154599160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).