8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline

C59H39N — CID 139394581

IUPAC8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7cccnc67)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C59H39N/c1-4-18-40(19-5-1)48-38-54(41-20-6-2-7-21-41)58(55(39-48)42-22-8-3-9-23-42)47-28-15-27-46(37-47)57-52-32-12-10-30-50(52)56(51-31-11-13-33-53(51)57)45-26-14-25-44(36-45)49-34-16-24-43-29-17-35-60-59(43)49/h1-39H
InChIKeyVPPACZGHGMWZJW-UHFFFAOYSA-N
MW761.97 g/mol
LogP16.21
Rot. Bonds7

About 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline

8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline (PubChem CID 139394581) has the molecular formula C59H39N and a molecular weight of 761.97 g/mol. Its IUPAC name is 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
PubChem CID139394581
Molecular FormulaC59H39N
Molecular Weight761.97 g/mol
Exact Mass761.31
IUPAC Name8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7cccnc67)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C59H39N/c1-4-18-40(19-5-1)48-38-54(41-20-6-2-7-21-41)58(55(39-48)42-22-8-3-9-23-42)47-28-15-27-46(37-47)57-52-32-12-10-30-50(52)56(51-31-11-13-33-53(51)57)45-26-14-25-44(36-45)49-34-16-24-43-29-17-35-60-59(43)49/h1-39H
InChIKeyVPPACZGHGMWZJW-UHFFFAOYSA-N
XLogP16.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394585
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
13-[3-(4-quinolin-8-ylphenyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134453283
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163900129
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
mercury;8-phenylquinoline;hydrate
CID 174770535
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[3-(10-phenylanthracen-9-yl)-5-(4-pyrimidin-2-ylphenyl)phenyl]-1,10-phenanthroline
CID 142588778

Frequently Asked Questions

What is the IUPAC name of 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
The IUPAC name of 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline (CID 139394581) is 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline.
What is the SMILES notation for 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
The canonical SMILES for 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7cccnc67)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
The InChIKey is VPPACZGHGMWZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N/c1-4-18-40(19-5-1)48-38-54(41-20-6-2-7-21-41)58(55(39-48)42-22-8-3-9-23-42)47-28-15-27-46(37-47)57-52-32-12-10-30-50(52)56(51-31-11-13-33-53(51)57)45-26-14-25-44(36-45)49-34-16-24-43-29-17-35-60-59(43)49/h1-39H.
What are the key properties of 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline has a molecular weight of 761.97 g/mol, XLogP of 16.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline is sourced from PubChem (CID 139394581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).