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

C66H42N6O2 — CID 59211035

IUPACN-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc45)cc3)o2)cc1
InChIInChI=1S/C66H42N6O2/c1-5-17-45(18-6-1)63-67-69-65(73-63)47-33-29-43(30-34-47)61-54-26-13-14-27-55(54)62(44-31-35-48(36-32-44)66-70-68-64(74-66)46-19-7-2-8-20-46)58-42-51(37-39-56(58)61)71(49-21-9-3-10-22-49)52-38-40-60-57(41-52)53-25-15-16-28-59(53)72(60)50-23-11-4-12-24-50/h1-42H
InChIKeyKPTUNRQOPBFVRX-UHFFFAOYSA-N
MW951.10 g/mol
LogP17.33
Rot. Bonds10

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

N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 59211035) has the molecular formula C66H42N6O2 and a molecular weight of 951.10 g/mol. Its IUPAC name is N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
PubChem CID59211035
Molecular FormulaC66H42N6O2
Molecular Weight951.10 g/mol
Exact Mass950.34
IUPAC NameN-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc45)cc3)o2)cc1
InChIInChI=1S/C66H42N6O2/c1-5-17-45(18-6-1)63-67-69-65(73-63)47-33-29-43(30-34-47)61-54-26-13-14-27-55(54)62(44-31-35-48(36-32-44)66-70-68-64(74-66)46-19-7-2-8-20-46)58-42-51(37-39-56(58)61)71(49-21-9-3-10-22-49)52-38-40-60-57(41-52)53-25-15-16-28-59(53)72(60)50-23-11-4-12-24-50/h1-42H
InChIKeyKPTUNRQOPBFVRX-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'}

Analyze N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine (CID 59211035) is N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine is c1ccc(-c2nnc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6nnc(-c7ccccc7)o6)cc5)c5cc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc45)cc3)o2)cc1.
What is the InChIKey of N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is KPTUNRQOPBFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N6O2/c1-5-17-45(18-6-1)63-67-69-65(73-63)47-33-29-43(30-34-47)61-54-26-13-14-27-55(54)62(44-31-35-48(36-32-44)66-70-68-64(74-66)46-19-7-2-8-20-46)58-42-51(37-39-56(58)61)71(49-21-9-3-10-22-49)52-38-40-60-57(41-52)53-25-15-16-28-59(53)72(60)50-23-11-4-12-24-50/h1-42H.
What are the key properties of N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine?
N-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-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-[9,10-bis[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anthracen-2-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 59211035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).