4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline

C44H28N2 — CID 118564017

IUPAC4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cnc(-c5cnc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-2-12-30(13-3-1)42-35-16-6-8-18-37(35)43(38-19-9-7-17-36(38)42)31-24-22-29(23-25-31)40-28-46-44(39-20-10-5-15-34(39)40)33-26-32-14-4-11-21-41(32)45-27-33/h1-28H
InChIKeyVXIMXHWPUZWSDD-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline

4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline (PubChem CID 118564017) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline.

Molecular Properties

Compound Name4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
PubChem CID118564017
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cnc(-c5cnc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C44H28N2/c1-2-12-30(13-3-1)42-35-16-6-8-18-37(35)43(38-19-9-7-17-36(38)42)31-24-22-29(23-25-31)40-28-46-44(39-20-10-5-15-34(39)40)33-26-32-14-4-11-21-41(32)45-27-33/h1-28H
InChIKeyVXIMXHWPUZWSDD-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
3-anthracen-9-ylquinoline
CID 170654314
9-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]carbazole
CID 58273441
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[10-[6-(10-quinolin-3-ylanthracen-9-yl)pyren-1-yl]anthracen-9-yl]quinoline
CID 59861508
3-[2-(10-phenylanthracen-9-yl)ethynyl]quinoline
CID 58730024
bis(3,4-diphenylquinoline);hydrate
CID 139201276
5,7-diphenyl-1,3-bis(4-quinolin-3-ylphenyl)isoquinoline
CID 146332413
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]quinoline;2-[7-(10-phenylanthracen-9-yl)triphenylen-2-yl]pyridine
CID 160885929

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline?
The IUPAC name of 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline (CID 118564017) is 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline.
What is the SMILES notation for 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline?
The canonical SMILES for 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cnc(-c5cnc6ccccc6c5)c5ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline?
The InChIKey is VXIMXHWPUZWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-12-30(13-3-1)42-35-16-6-8-18-37(35)43(38-19-9-7-17-36(38)42)31-24-22-29(23-25-31)40-28-46-44(39-20-10-5-15-34(39)40)33-26-32-14-4-11-21-41(32)45-27-33/h1-28H.
What are the key properties of 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline?
4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline has a molecular weight of 584.72 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(10-phenylanthracen-9-yl)phenyl]-1-quinolin-3-ylisoquinoline is sourced from PubChem (CID 118564017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).