N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine

C50H36N2 — CID 59390738

IUPACN-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)cc2)n1
InChIInChI=1S/C50H36N2/c1-35-16-15-27-48(51-35)52(42-21-9-4-10-22-42)43-30-28-38(29-31-43)49-44-23-11-13-25-46(44)50(47-26-14-12-24-45(47)49)41-33-39(36-17-5-2-6-18-36)32-40(34-41)37-19-7-3-8-20-37/h2-34H,1H3
InChIKeySYDMFRYTIJPVRZ-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.83
Rot. Bonds7

About N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine

N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine (PubChem CID 59390738) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine
PubChem CID59390738
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)cc2)n1
InChIInChI=1S/C50H36N2/c1-35-16-15-27-48(51-35)52(42-21-9-4-10-22-42)43-30-28-38(29-31-43)49-44-23-11-13-25-46(44)50(47-26-14-12-24-45(47)49)41-33-39(36-17-5-2-6-18-36)32-40(34-41)37-19-7-3-8-20-37/h2-34H,1H3
InChIKeySYDMFRYTIJPVRZ-UHFFFAOYSA-N
XLogP13.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.83
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

6-methyl-N,N-diphenylpyridin-2-amine
CID 101223687
6-(N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anilino)pyridine-2-carbonitrile
CID 59390733
N-[4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,4-diphenylaniline;1-methyl-4-phenylbenzene;toluene
CID 143567044
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-6-methyl-N-(4-trimethylsilylphenyl)pyridin-2-amine
CID 58121632
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59221815
4-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylaniline
CID 142004488
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
6-methyl-N-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]pyridin-2-amine
CID 167376713
2-N,6-N-bis(4-methylphenyl)-2-N,6-N,9-triphenyl-10-(4-phenylphenyl)anthracene-2,6-diamine
CID 59766189
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59390587
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine?
The IUPAC name of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine (CID 59390738) is N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine is Cc1cccc(N(c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)cc2)n1.
What is the InChIKey of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine?
The InChIKey is SYDMFRYTIJPVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-35-16-15-27-48(51-35)52(42-21-9-4-10-22-42)43-30-28-38(29-31-43)49-44-23-11-13-25-46(44)50(47-26-14-12-24-45(47)49)41-33-39(36-17-5-2-6-18-36)32-40(34-41)37-19-7-3-8-20-37/h2-34H,1H3.
What are the key properties of N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine?
N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine has a molecular weight of 664.85 g/mol, XLogP of 13.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-6-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 59390738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).