N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine

C42H29N3 — CID 59390587

IUPACN-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H29N3/c1-2-12-30(13-3-1)31-20-22-32(23-21-31)41-35-14-4-6-16-37(35)42(38-17-7-5-15-36(38)41)33-24-26-34(27-25-33)45(39-18-8-10-28-43-39)40-19-9-11-29-44-40/h1-29H
InChIKeyOPLDHQBZKACCKL-UHFFFAOYSA-N
MW575.72 g/mol
LogP11.25
Rot. Bonds6

About N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine

N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 59390587) has the molecular formula C42H29N3 and a molecular weight of 575.72 g/mol. Its IUPAC name is N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID59390587
Molecular FormulaC42H29N3
Molecular Weight575.72 g/mol
Exact Mass575.24
IUPAC NameN-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C42H29N3/c1-2-12-30(13-3-1)31-20-22-32(23-21-31)41-35-14-4-6-16-37(35)42(38-17-7-5-15-36(38)41)33-24-26-34(27-25-33)45(39-18-8-10-28-43-39)40-19-9-11-29-44-40/h1-29H
InChIKeyOPLDHQBZKACCKL-UHFFFAOYSA-N
XLogP11.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.72
LogP ≤ 511.25
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

N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674
N-(10-phenylanthracen-9-yl)-N-(3-phenylphenyl)pyridin-2-amine
CID 59390876
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine
CID 58121682
N-(4-phenylphenyl)-N-(5,6,8-triphenyltriphenylen-2-yl)pyridin-2-amine
CID 59308877
6-fluoro-N-phenyl-N-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyridin-2-amine
CID 59390581
N-[4-[[4-(dipyridin-2-ylamino)phenyl]-dimethylsilyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 101222424
N,6-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine;5-fluoro-N-phenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine;N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine;N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine;N-phenyl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 160863734
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine
CID 58121679
N-[4-[9,10-dinaphthalen-2-yl-6-[4-[pyridin-2-yl(quinolin-2-yl)amino]phenyl]anthracen-2-yl]phenyl]-N-pyridin-2-ylquinolin-2-amine
CID 58121678
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine (CID 59390587) is N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccccn5)c5ccccn5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is OPLDHQBZKACCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N3/c1-2-12-30(13-3-1)31-20-22-32(23-21-31)41-35-14-4-6-16-37(35)42(38-17-7-5-15-36(38)41)33-24-26-34(27-25-33)45(39-18-8-10-28-43-39)40-19-9-11-29-44-40/h1-29H.
What are the key properties of N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine?
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 575.72 g/mol, XLogP of 11.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 59390587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).