N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine

C66H42N6O2 — CID 59211131

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
SMILESc1ccc(-c2nnc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4nnc(-c5ccccc5)o4)c4cc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc34)o2)cc1
InChIInChI=1S/C66H42N6O2/c1-4-20-43(21-5-1)63-67-69-65(73-63)56-32-14-12-30-53(56)61-51-28-10-11-29-52(51)62(54-31-13-15-33-57(54)66-70-68-64(74-66)44-22-6-2-7-23-44)58-42-48(40-41-55(58)61)71(45-24-8-3-9-25-45)46-36-38-47(39-37-46)72-59-34-18-16-26-49(59)50-27-17-19-35-60(50)72/h1-42H
InChIKeyJDMPLQIBIFMLMB-UHFFFAOYSA-N
MW951.10 g/mol
LogP17.33
Rot. Bonds10

About N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine

N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine (PubChem CID 59211131) has the molecular formula C66H42N6O2 and a molecular weight of 951.10 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
PubChem CID59211131
Molecular FormulaC66H42N6O2
Molecular Weight951.10 g/mol
Exact Mass950.34
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
SMILESc1ccc(-c2nnc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4nnc(-c5ccccc5)o4)c4cc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc34)o2)cc1
InChIInChI=1S/C66H42N6O2/c1-4-20-43(21-5-1)63-67-69-65(73-63)56-32-14-12-30-53(56)61-51-28-10-11-29-52(51)62(54-31-13-15-33-57(54)66-70-68-64(74-66)44-22-6-2-7-23-44)58-42-48(40-41-55(58)61)71(45-24-8-3-9-25-45)46-36-38-47(39-37-46)72-59-34-18-16-26-49(59)50-27-17-19-35-60(50)72/h1-42H
InChIKeyJDMPLQIBIFMLMB-UHFFFAOYSA-N
XLogP17.33
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.10
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine (CID 59211131) is N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine is c1ccc(-c2nnc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4nnc(-c5ccccc5)o4)c4cc(N(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc34)o2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine?
The InChIKey is JDMPLQIBIFMLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6O2/c1-4-20-43(21-5-1)63-67-69-65(73-63)56-32-14-12-30-53(56)61-51-28-10-11-29-52(51)62(54-31-13-15-33-57(54)66-70-68-64(74-66)44-22-6-2-7-23-44)58-42-48(40-41-55(58)61)71(45-24-8-3-9-25-45)46-36-38-47(39-37-46)72-59-34-18-16-26-49(59)50-27-17-19-35-60(50)72/h1-42H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine?
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine has a molecular weight of 951.10 g/mol, XLogP of 17.33, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine is sourced from PubChem (CID 59211131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).