N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine

C61H40N2S — CID 58121679

IUPACN-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)c4ccccn4)c3)s2)cc1
InChIInChI=1S/C61H40N2S/c1-2-15-44(16-3-1)57-34-35-58(64-57)48-19-12-20-52(39-48)63(59-23-10-11-36-62-59)51-31-28-43(29-32-51)47-30-33-55-56(40-47)61(50-27-25-42-14-5-7-18-46(42)38-50)54-22-9-8-21-53(54)60(55)49-26-24-41-13-4-6-17-45(41)37-49/h1-40H
InChIKeyDJVLQJAQMDASAD-UHFFFAOYSA-N
MW833.07 g/mol
LogP17.56
Rot. Bonds8

About N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine

N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine (PubChem CID 58121679) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine
PubChem CID58121679
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC NameN-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)c4ccccn4)c3)s2)cc1
InChIInChI=1S/C61H40N2S/c1-2-15-44(16-3-1)57-34-35-58(64-57)48-19-12-20-52(39-48)63(59-23-10-11-36-62-59)51-31-28-43(29-32-51)47-30-33-55-56(40-47)61(50-27-25-42-14-5-7-18-46(42)38-50)54-22-9-8-21-53(54)60(55)49-26-24-41-13-4-6-17-45(41)37-49/h1-40H
InChIKeyDJVLQJAQMDASAD-UHFFFAOYSA-N
XLogP17.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 517.56
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-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-phenylpyridin-2-amine
CID 58121682
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
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
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
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
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
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
CID 58963478
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
N-(10-phenylanthracen-9-yl)-N-(3-phenylphenyl)pyridin-2-amine
CID 59390876
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 169065390

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine?
The IUPAC name of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine (CID 58121679) is N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine?
The canonical SMILES for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)c4ccccn4)c3)s2)cc1.
What is the InChIKey of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine?
The InChIKey is DJVLQJAQMDASAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-2-15-44(16-3-1)57-34-35-58(64-57)48-19-12-20-52(39-48)63(59-23-10-11-36-62-59)51-31-28-43(29-32-51)47-30-33-55-56(40-47)61(50-27-25-42-14-5-7-18-46(42)38-50)54-22-9-8-21-53(54)60(55)49-26-24-41-13-4-6-17-45(41)37-49/h1-40H.
What are the key properties of N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine?
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine has a molecular weight of 833.07 g/mol, XLogP of 17.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 58121679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).