N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine

C68H46N4 — CID 58121671

IUPACN-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(N(c7ccccc7)c7ccccn7)cc6)ccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C68H46N4/c1-3-19-57(20-4-1)71(65-23-11-13-41-69-65)59-35-29-49(30-36-59)53-33-39-61-63(45-53)67(55-27-25-47-15-7-9-17-51(47)43-55)62-40-34-54(46-64(62)68(61)56-28-26-48-16-8-10-18-52(48)44-56)50-31-37-60(38-32-50)72(58-21-5-2-6-22-58)66-24-12-14-42-70-66/h1-46H
InChIKeyXKLLDXANVVNMSB-UHFFFAOYSA-N
MW919.14 g/mol
LogP18.70
Rot. Bonds10

About N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine

N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine (PubChem CID 58121671) has the molecular formula C68H46N4 and a molecular weight of 919.14 g/mol. Its IUPAC name is N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine
PubChem CID58121671
Molecular FormulaC68H46N4
Molecular Weight919.14 g/mol
Exact Mass918.37
IUPAC NameN-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(N(c7ccccc7)c7ccccn7)cc6)ccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1
InChIInChI=1S/C68H46N4/c1-3-19-57(20-4-1)71(65-23-11-13-41-69-65)59-35-29-49(30-36-59)53-33-39-61-63(45-53)67(55-27-25-47-15-7-9-17-51(47)43-55)62-40-34-54(46-64(62)68(61)56-28-26-48-16-8-10-18-52(48)44-56)50-31-37-60(38-32-50)72(58-21-5-2-6-22-58)66-24-12-14-42-70-66/h1-46H
InChIKeyXKLLDXANVVNMSB-UHFFFAOYSA-N
XLogP18.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine (CID 58121671) is N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine is c1ccc(N(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cc(-c6ccc(N(c7ccccc7)c7ccccn7)cc6)ccc5c(-c5ccc6ccccc6c5)c4c3)cc2)c2ccccn2)cc1.
What is the InChIKey of N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine?
The InChIKey is XKLLDXANVVNMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4/c1-3-19-57(20-4-1)71(65-23-11-13-41-69-65)59-35-29-49(30-36-59)53-33-39-61-63(45-53)67(55-27-25-47-15-7-9-17-51(47)43-55)62-40-34-54(46-64(62)68(61)56-28-26-48-16-8-10-18-52(48)44-56)50-31-37-60(38-32-50)72(58-21-5-2-6-22-58)66-24-12-14-42-70-66/h1-46H.
What are the key properties of N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine?
N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine has a molecular weight of 919.14 g/mol, XLogP of 18.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9,10-dinaphthalen-2-yl-6-[4-(N-pyridin-2-ylanilino)phenyl]anthracen-2-yl]phenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 58121671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).