2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine

C45H29N3 — CID 118563985

IUPAC2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc(-c4ccc(-c5cccnc5)nc4)cc3)c3ccccc23)nc1
InChIInChI=1S/C45H29N3/c1-2-12-35-31(10-1)22-24-40(42-17-7-8-27-47-42)44(35)45-38-15-5-3-13-36(38)43(37-14-4-6-16-39(37)45)32-20-18-30(19-21-32)33-23-25-41(48-29-33)34-11-9-26-46-28-34/h1-29H
InChIKeyFPSCGFYBDVSUQK-UHFFFAOYSA-N
MW611.75 g/mol
LogP11.67
Rot. Bonds5

About 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine

2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine (PubChem CID 118563985) has the molecular formula C45H29N3 and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
PubChem CID118563985
Molecular FormulaC45H29N3
Molecular Weight611.75 g/mol
Exact Mass611.24
IUPAC Name2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
SMILESc1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc(-c4ccc(-c5cccnc5)nc4)cc3)c3ccccc23)nc1
InChIInChI=1S/C45H29N3/c1-2-12-35-31(10-1)22-24-40(42-17-7-8-27-47-42)44(35)45-38-15-5-3-13-36(38)43(37-14-4-6-16-39(37)45)32-20-18-30(19-21-32)33-23-25-41(48-29-33)34-11-9-26-46-28-34/h1-29H
InChIKeyFPSCGFYBDVSUQK-UHFFFAOYSA-N
XLogP11.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 511.67
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

2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
4-[1-(10-phenylanthracen-9-yl)naphthalen-2-yl]-3-pyridin-2-ylpyridine
CID 134515108
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
2,4-diphenyl-6-[4-(5-pyridin-2-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-3-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(5-pyridin-4-yl-2-pyridinyl)naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-(6-pyridin-2-yl-3-pyridinyl)naphthalen-1-yl]-1,3,5-triazine
CID 162259732
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 158248176
2,4-diphenyl-6-[10-(5-pyridin-4-yl-2-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-3-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine;2,4-diphenyl-6-[10-(6-pyridin-4-yl-3-pyridinyl)anthracen-9-yl]-1,3,5-triazine
CID 159657299
2,4-diphenyl-6-[4-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 165168303
4-[2-[12-(1-pyridin-4-ylnaphthalen-2-yl)tetracen-5-yl]naphthalen-1-yl]pyridine;2-[2-[12-(2-pyridin-2-ylphenyl)tetracen-5-yl]phenyl]pyridine;3-[2-[12-(2-pyridin-3-ylphenyl)tetracen-5-yl]phenyl]pyridine;4-[2-[12-(2-pyridin-4-ylphenyl)tetracen-5-yl]phenyl]pyridine
CID 158170790
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
CID 144553841
2,4-diphenyl-6-[10-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 165168236
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine (CID 118563985) is 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine is c1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc(-c4ccc(-c5cccnc5)nc4)cc3)c3ccccc23)nc1.
What is the InChIKey of 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
The InChIKey is FPSCGFYBDVSUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3/c1-2-12-35-31(10-1)22-24-40(42-17-7-8-27-47-42)44(35)45-38-15-5-3-13-36(38)43(37-14-4-6-16-39(37)45)32-20-18-30(19-21-32)33-23-25-41(48-29-33)34-11-9-26-46-28-34/h1-29H.
What are the key properties of 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine?
2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine has a molecular weight of 611.75 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-[4-[10-(2-pyridin-2-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 118563985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).