5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine

C53H33N — CID 89023620

IUPAC5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5cc(-c6ccc7ccccc7c6)ccc45)nc3)ccc2c1
InChIInChI=1S/C53H33N/c1-3-12-37-29-39(20-17-34(37)9-1)41-23-27-49-50(32-41)52(43-24-26-46-42(31-43)22-19-36-11-5-6-14-45(36)46)47-15-7-8-16-48(47)53(49)51-28-25-44(33-54-51)40-21-18-35-10-2-4-13-38(35)30-40/h1-33H
InChIKeyNNFOJLMRIUUYAJ-UHFFFAOYSA-N
MW683.85 g/mol
LogP14.67
Rot. Bonds4

About 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine

5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine (PubChem CID 89023620) has the molecular formula C53H33N and a molecular weight of 683.85 g/mol. Its IUPAC name is 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
PubChem CID89023620
Molecular FormulaC53H33N
Molecular Weight683.85 g/mol
Exact Mass683.26
IUPAC Name5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
SMILESc1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5cc(-c6ccc7ccccc7c6)ccc45)nc3)ccc2c1
InChIInChI=1S/C53H33N/c1-3-12-37-29-39(20-17-34(37)9-1)41-23-27-49-50(32-41)52(43-24-26-46-42(31-43)22-19-36-11-5-6-14-45(36)46)47-15-7-8-16-48(47)53(49)51-28-25-44(33-54-51)40-21-18-35-10-2-4-13-38(35)30-40/h1-33H
InChIKeyNNFOJLMRIUUYAJ-UHFFFAOYSA-N
XLogP14.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.85
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine
CID 89218094
2-methyl-5-[4-[10-[4-(6-methyl-3-pyridinyl)phenyl]-2-naphthalen-2-ylanthracen-9-yl]phenyl]pyridine
CID 122642449
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
2-(5-methyl-2-pyridinyl)-5-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554329

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine?
The IUPAC name of 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine (CID 89023620) is 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine.
What is the SMILES notation for 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine?
The canonical SMILES for 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine is c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(ccc7ccccc76)c5)c5cc(-c6ccc7ccccc7c6)ccc45)nc3)ccc2c1.
What is the InChIKey of 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine?
The InChIKey is NNFOJLMRIUUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N/c1-3-12-37-29-39(20-17-34(37)9-1)41-23-27-49-50(32-41)52(43-24-26-46-42(31-43)22-19-36-11-5-6-14-45(36)46)47-15-7-8-16-48(47)53(49)51-28-25-44(33-54-51)40-21-18-35-10-2-4-13-38(35)30-40/h1-33H.
What are the key properties of 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine?
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine has a molecular weight of 683.85 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine is sourced from PubChem (CID 89023620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).