N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine

C51H34N2 — CID 58121682

IUPACN-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C51H34N2/c1-2-16-43(17-3-1)53(49-20-10-11-31-52-49)44-28-25-37(26-29-44)40-27-30-47-48(34-40)51(42-24-22-36-13-5-7-15-39(36)33-42)46-19-9-8-18-45(46)50(47)41-23-21-35-12-4-6-14-38(35)32-41/h1-34H
InChIKeyWCLIXFZABGBJBZ-UHFFFAOYSA-N
MW674.85 g/mol
LogP14.17
Rot. Bonds6

About N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine

N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine (PubChem CID 58121682) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine
PubChem CID58121682
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC NameN-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C51H34N2/c1-2-16-43(17-3-1)53(49-20-10-11-31-52-49)44-28-25-37(26-29-44)40-27-30-47-48(34-40)51(42-24-22-36-13-5-7-15-39(36)33-42)46-19-9-8-18-45(46)50(47)41-23-21-35-12-4-6-14-38(35)32-41/h1-34H
InChIKeyWCLIXFZABGBJBZ-UHFFFAOYSA-N
XLogP14.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 514.17
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

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
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline;9,10-dinaphthalen-2-yl-2,6-bis(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2,6-bis(10-phenylanthracen-9-yl)anthracene
CID 159179813
9-[4-[6-[10-naphthalen-2-yl-2,6-bis(N-phenylanilino)anthracen-9-yl]naphthalen-2-yl]phenyl]-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 134490814
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59390587
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9,10-dinaphthalen-2-yl-N-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-N-(4-phenylphenyl)anthracen-2-amine
CID 58963420
9,10-dinaphthalen-2-ylanthracene;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine
CID 161402178
9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetrakis(4-phenylphenyl)anthracene-2,6-diamine
CID 88869069
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine (CID 58121682) is N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine is c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1.
What is the InChIKey of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine?
The InChIKey is WCLIXFZABGBJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-2-16-43(17-3-1)53(49-20-10-11-31-52-49)44-28-25-37(26-29-44)40-27-30-47-48(34-40)51(42-24-22-36-13-5-7-15-39(36)33-42)46-19-9-8-18-45(46)50(47)41-23-21-35-12-4-6-14-38(35)32-41/h1-34H.
What are the key properties of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine?
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine has a molecular weight of 674.85 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 58121682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).