8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline

C39H25N — CID 146665542

IUPAC8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5cccnc45)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C39H25N/c1-2-12-26(13-3-1)37-31-18-6-8-20-33(31)38(34-21-9-7-19-32(34)37)29-24-28-14-4-5-17-30(28)36(25-29)35-22-10-15-27-16-11-23-40-39(27)35/h1-25H
InChIKeyIOOQEMYRZKGDKZ-UHFFFAOYSA-N
MW507.64 g/mol
LogP10.70
Rot. Bonds3

About 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline

8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline (PubChem CID 146665542) has the molecular formula C39H25N and a molecular weight of 507.64 g/mol. Its IUPAC name is 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline.

Molecular Properties

Compound Name8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
PubChem CID146665542
Molecular FormulaC39H25N
Molecular Weight507.64 g/mol
Exact Mass507.20
IUPAC Name8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5cccnc45)c4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C39H25N/c1-2-12-26(13-3-1)37-31-18-6-8-20-33(31)38(34-21-9-7-19-32(34)37)29-24-28-14-4-5-17-30(28)36(25-29)35-22-10-15-27-16-11-23-40-39(27)35/h1-25H
InChIKeyIOOQEMYRZKGDKZ-UHFFFAOYSA-N
XLogP10.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.64
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenylbenzo[g]quinoline
CID 59183100
8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394585
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
10-naphthalen-1-yl-5-[6-(10-naphthalen-1-ylbenzo[g]quinolin-5-yl)naphthalen-2-yl]benzo[g]quinoline
CID 59184004
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
5,10-bis(6-naphthalen-1-ylnaphthalen-2-yl)benzo[g]quinoline
CID 59183508
4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 146652639
8-[2-(2,3-diphenylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 146187315
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471

Frequently Asked Questions

What is the IUPAC name of 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline?
The IUPAC name of 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline (CID 146665542) is 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline.
What is the SMILES notation for 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline?
The canonical SMILES for 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline is c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5cccnc45)c4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline?
The InChIKey is IOOQEMYRZKGDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N/c1-2-12-26(13-3-1)37-31-18-6-8-20-33(31)38(34-21-9-7-19-32(34)37)29-24-28-14-4-5-17-30(28)36(25-29)35-22-10-15-27-16-11-23-40-39(27)35/h1-25H.
What are the key properties of 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline?
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline has a molecular weight of 507.64 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline is sourced from PubChem (CID 146665542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).