2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline

C47H29N — CID 129255162

IUPAC2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline
SMILESc1ccc2cc(-c3ccc4c5ccc(-c6ccc(-c7ccc8ccccc8n7)c7ccccc67)cc5c5ccccc5c4c3)ccc2c1
InChIInChI=1S/C47H29N/c1-2-11-32-27-33(18-17-30(32)9-1)34-19-22-41-42-23-20-35(29-45(42)40-15-7-6-14-39(40)44(41)28-34)36-24-25-43(38-13-5-4-12-37(36)38)47-26-21-31-10-3-8-16-46(31)48-47/h1-29H
InChIKeyJBBOHPAERYQIRF-UHFFFAOYSA-N
MW607.76 g/mol
LogP13.00
Rot. Bonds3

About 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline

2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline (PubChem CID 129255162) has the molecular formula C47H29N and a molecular weight of 607.76 g/mol. Its IUPAC name is 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline
PubChem CID129255162
Molecular FormulaC47H29N
Molecular Weight607.76 g/mol
Exact Mass607.23
IUPAC Name2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline
SMILESc1ccc2cc(-c3ccc4c5ccc(-c6ccc(-c7ccc8ccccc8n7)c7ccccc67)cc5c5ccccc5c4c3)ccc2c1
InChIInChI=1S/C47H29N/c1-2-11-32-27-33(18-17-30(32)9-1)34-19-22-41-42-23-20-35(29-45(42)40-15-7-6-14-39(40)44(41)28-34)36-24-25-43(38-13-5-4-12-37(36)38)47-26-21-31-10-3-8-16-46(31)48-47/h1-29H
InChIKeyJBBOHPAERYQIRF-UHFFFAOYSA-N
XLogP13.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.76
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(5,8-dinaphthalen-1-ylnaphthalen-2-yl)triphenylene;2-(5,8-dinaphthalen-2-ylnaphthalen-2-yl)triphenylene;2-(5-naphthalen-1-yl-8-naphthalen-2-ylnaphthalen-2-yl)triphenylene
CID 161163611
2-[4-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 168797174
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
1,6-dinaphthalen-2-yl-4-phenylnaphthalene
CID 159069620
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
10,21-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629389
2-[4-(7-naphthalen-1-ylnaphthalen-2-yl)phenyl]triphenylene
CID 123541562
4-naphthalen-2-ylquinoline
CID 14173372
2-naphthalen-2-yl-9-[4-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 59010533
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
4-naphthalen-1-yl-1-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 161364100
2-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)quinoline
CID 59330321

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline?
The IUPAC name of 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline (CID 129255162) is 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline.
What is the SMILES notation for 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline?
The canonical SMILES for 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline is c1ccc2cc(-c3ccc4c5ccc(-c6ccc(-c7ccc8ccccc8n7)c7ccccc67)cc5c5ccccc5c4c3)ccc2c1.
What is the InChIKey of 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline?
The InChIKey is JBBOHPAERYQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N/c1-2-11-32-27-33(18-17-30(32)9-1)34-19-22-41-42-23-20-35(29-45(42)40-15-7-6-14-39(40)44(41)28-34)36-24-25-43(38-13-5-4-12-37(36)38)47-26-21-31-10-3-8-16-46(31)48-47/h1-29H.
What are the key properties of 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline?
2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline has a molecular weight of 607.76 g/mol, XLogP of 13.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline is sourced from PubChem (CID 129255162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).