2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine

C45H32N2 — CID 89144110

IUPAC2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine
SMILESC1=C(c2ccccc2)N(c2ccc3c(-c4ccccn4)c4ccccc4c(-c4cccc5ccccc45)c3c2)C(c2ccccc2)C1
InChIInChI=1S/C45H32N2/c1-3-15-32(16-4-1)42-27-28-43(33-17-5-2-6-18-33)47(42)34-25-26-39-40(30-34)44(36-23-13-19-31-14-7-8-20-35(31)36)37-21-9-10-22-38(37)45(39)41-24-11-12-29-46-41/h1-27,29-30,43H,28H2
InChIKeyNCZYCHYHLAJYHF-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.87
Rot. Bonds5

About 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine

2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine (PubChem CID 89144110) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine
PubChem CID89144110
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine
SMILESC1=C(c2ccccc2)N(c2ccc3c(-c4ccccn4)c4ccccc4c(-c4cccc5ccccc45)c3c2)C(c2ccccc2)C1
InChIInChI=1S/C45H32N2/c1-3-15-32(16-4-1)42-27-28-43(33-17-5-2-6-18-33)47(42)34-25-26-39-40(30-34)44(36-23-13-19-31-14-7-8-20-35(31)36)37-21-9-10-22-38(37)45(39)41-24-11-12-29-46-41/h1-27,29-30,43H,28H2
InChIKeyNCZYCHYHLAJYHF-UHFFFAOYSA-N
XLogP11.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.87
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

1-[9-(3,4-dimethylphenyl)-10-naphthalen-1-ylanthracen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
CID 89144288
1-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-2,5-diphenyl-2,3-dihydropyrrole
CID 89144264
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 90361806
2-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine
CID 118487396
1-[9-[3-(2,2-diphenylethenyl)phenyl]-10-naphthalen-1-yl-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 59220024
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2-(6-methyl-9,10-dinaphthalen-1-ylanthracen-2-yl)-6-phenylpyridine
CID 59722146
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
2-[6-phenyl-8-(6-pyridin-2-yl-2-pyridinyl)benzo[a]tetracen-13-yl]-6-pyridin-2-ylpyridine
CID 89177926
10-[6-(9H-acridin-10-yl)-9-naphthalen-1-yl-10-phenylanthracen-2-yl]-9H-acridine
CID 59219788
2-[10-[2,3-bis(ethenyl)phenyl]-9-naphthalen-1-ylanthracen-2-yl]-6-phenylpyridine
CID 88589712
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine?
The IUPAC name of 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine (CID 89144110) is 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine.
What is the SMILES notation for 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine?
The canonical SMILES for 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine is C1=C(c2ccccc2)N(c2ccc3c(-c4ccccn4)c4ccccc4c(-c4cccc5ccccc45)c3c2)C(c2ccccc2)C1.
What is the InChIKey of 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine?
The InChIKey is NCZYCHYHLAJYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-3-15-32(16-4-1)42-27-28-43(33-17-5-2-6-18-33)47(42)34-25-26-39-40(30-34)44(36-23-13-19-31-14-7-8-20-35(31)36)37-21-9-10-22-38(37)45(39)41-24-11-12-29-46-41/h1-27,29-30,43H,28H2.
What are the key properties of 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine?
2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine has a molecular weight of 600.77 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-diphenyl-2,3-dihydropyrrol-1-yl)-10-naphthalen-1-ylanthracen-9-yl]pyridine is sourced from PubChem (CID 89144110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).