N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine

C50H30FN3O2 — CID 164939142

IUPACN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine
SMILESFc1c2ccccc2cc2c(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)cccc12
InChIInChI=1S/C50H30FN3O2/c51-48-41-9-2-1-8-35(41)30-43-40(10-7-11-42(43)48)36-17-16-34-29-39(27-22-33(34)28-36)54(37-23-18-31(19-24-37)49-52-44-12-3-5-14-46(44)55-49)38-25-20-32(21-26-38)50-53-45-13-4-6-15-47(45)56-50/h1-30H
InChIKeyQMLTZGPBNOJMJM-UHFFFAOYSA-N
MW723.81 g/mol
LogP14.04
Rot. Bonds6

About N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine

N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine (PubChem CID 164939142) has the molecular formula C50H30FN3O2 and a molecular weight of 723.81 g/mol. Its IUPAC name is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine
PubChem CID164939142
Molecular FormulaC50H30FN3O2
Molecular Weight723.81 g/mol
Exact Mass723.23
IUPAC NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine
SMILESFc1c2ccccc2cc2c(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)cccc12
InChIInChI=1S/C50H30FN3O2/c51-48-41-9-2-1-8-35(41)30-43-40(10-7-11-42(43)48)36-17-16-34-29-39(27-22-33(34)28-36)54(37-23-18-31(19-24-37)49-52-44-12-3-5-14-46(44)55-49)38-25-20-32(21-26-38)50-53-45-13-4-6-15-47(45)56-50/h1-30H
InChIKeyQMLTZGPBNOJMJM-UHFFFAOYSA-N
XLogP14.04
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.81
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fluorescent brightener 367
CID 78769
2-(4-Biphenyl)-6-phenylbenzoxazole
CID 86930
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
N-(p-(2-Benzoxazolyl)phenyl)maleimide
CID 85555
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588
4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 1101438
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-[2-(2-methyl-benzooxazol-6-yl)-ethyl]-amine
CID 10499020
Benzoxazole, 2,2'-o-phenylenebis-
CID 17122
2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole
CID 111052
2-(3-Benzooxazol-2-yl-phenyl)-isoindole-1,3-dione
CID 728385
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide
CID 1364335

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine?
The IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine (CID 164939142) is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine.
What is the SMILES notation for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine?
The canonical SMILES for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine is Fc1c2ccccc2cc2c(-c3ccc4cc(N(c5ccc(-c6nc7ccccc7o6)cc5)c5ccc(-c6nc7ccccc7o6)cc5)ccc4c3)cccc12.
What is the InChIKey of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine?
The InChIKey is QMLTZGPBNOJMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30FN3O2/c51-48-41-9-2-1-8-35(41)30-43-40(10-7-11-42(43)48)36-17-16-34-29-39(27-22-33(34)28-36)54(37-23-18-31(19-24-37)49-52-44-12-3-5-14-46(44)55-49)38-25-20-32(21-26-38)50-53-45-13-4-6-15-47(45)56-50/h1-30H.
What are the key properties of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine?
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine has a molecular weight of 723.81 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-(10-fluoroanthracen-1-yl)naphthalen-2-amine is sourced from PubChem (CID 164939142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).