2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine

C48H30N2 — CID 90361809

IUPAC2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine
SMILESc1ccc2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc(-c5ccc(-c6ccncc6)cn5)cc34)cccc2c1
InChIInChI=1S/C48H30N2/c1-3-13-36-32(10-1)12-9-19-40(36)47-41-17-7-8-18-42(41)48(44-28-33-11-2-4-14-37(33)38-15-5-6-16-39(38)44)43-22-20-34(29-45(43)47)46-23-21-35(30-50-46)31-24-26-49-27-25-31/h1-30H
InChIKeyHVJQNTASEOWFKZ-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.91
Rot. Bonds4

About 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine

2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine (PubChem CID 90361809) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine.

Molecular Properties

Compound Name2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine
PubChem CID90361809
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine
SMILESc1ccc2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc(-c5ccc(-c6ccncc6)cn5)cc34)cccc2c1
InChIInChI=1S/C48H30N2/c1-3-13-36-32(10-1)12-9-19-40(36)47-41-17-7-8-18-42(41)48(44-28-33-11-2-4-14-37(33)38-15-5-6-16-39(38)44)43-22-20-34(29-45(43)47)46-23-21-35(30-50-46)31-24-26-49-27-25-31/h1-30H
InChIKeyHVJQNTASEOWFKZ-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Launch Full Analysis

Related Compounds

2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
CID 90361500
2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
CID 58322783
2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
2-[5-[10-(4-ethylphenyl)anthracen-9-yl]naphthalen-1-yl]-5-pyridin-4-ylpyridine
CID 88551946
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
4-(10-naphthalen-1-ylanthracen-9-yl)pyridine
CID 89341882
2,9-dinaphthalen-2-yl-10-phenanthren-9-ylanthracene;9-naphthalen-1-yl-2,10-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene;2,9,10-trinaphthalen-2-ylanthracene
CID 158406092
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine?
The IUPAC name of 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine (CID 90361809) is 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine.
What is the SMILES notation for 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine?
The canonical SMILES for 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine is c1ccc2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc(-c5ccc(-c6ccncc6)cn5)cc34)cccc2c1.
What is the InChIKey of 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine?
The InChIKey is HVJQNTASEOWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-13-36-32(10-1)12-9-19-40(36)47-41-17-7-8-18-42(41)48(44-28-33-11-2-4-14-37(33)38-15-5-6-16-39(38)44)43-22-20-34(29-45(43)47)46-23-21-35(30-50-46)31-24-26-49-27-25-31/h1-30H.
What are the key properties of 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine?
2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine has a molecular weight of 634.78 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine is sourced from PubChem (CID 90361809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).