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

C66H42N6O2 — CID 59211084

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5cc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc45)cc3)o2)cc1
InChIInChI=1S/C66H42N6O2/c1-4-16-45(17-5-1)63-67-69-65(73-63)47-32-28-43(29-33-47)61-55-24-10-11-25-56(55)62(44-30-34-48(35-31-44)66-70-68-64(74-66)46-18-6-2-7-19-46)58-42-52(40-41-57(58)61)71(49-20-8-3-9-21-49)50-36-38-51(39-37-50)72-59-26-14-12-22-53(59)54-23-13-15-27-60(54)72/h1-42H
InChIKeyGBGLCQLOMZGJSJ-UHFFFAOYSA-N
MW951.10 g/mol
LogP17.33
Rot. Bonds10

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

N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine (PubChem CID 59211084) 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[4-(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[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
PubChem CID59211084
Molecular FormulaC66H42N6O2
Molecular Weight951.10 g/mol
Exact Mass950.34
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5cc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc45)cc3)o2)cc1
InChIInChI=1S/C66H42N6O2/c1-4-16-45(17-5-1)63-67-69-65(73-63)47-32-28-43(29-33-47)61-55-24-10-11-25-56(55)62(44-30-34-48(35-31-44)66-70-68-64(74-66)46-18-6-2-7-19-46)58-42-52(40-41-57(58)61)71(49-20-8-3-9-21-49)50-36-38-51(39-37-50)72-59-26-14-12-22-53(59)54-23-13-15-27-60(54)72/h1-42H
InChIKeyGBGLCQLOMZGJSJ-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[4-(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[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine (CID 59211084) is N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(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[4-(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[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5cc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc45)cc3)o2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine?
The InChIKey is GBGLCQLOMZGJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6O2/c1-4-16-45(17-5-1)63-67-69-65(73-63)47-32-28-43(29-33-47)61-55-24-10-11-25-56(55)62(44-30-34-48(35-31-44)66-70-68-64(74-66)46-18-6-2-7-19-46)58-42-52(40-41-57(58)61)71(49-20-8-3-9-21-49)50-36-38-51(39-37-50)72-59-26-14-12-22-53(59)54-23-13-15-27-60(54)72/h1-42H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine?
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[4-(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[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-amine is sourced from PubChem (CID 59211084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).