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

C53H35N — CID 139394585

IUPAC8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7cccnc67)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C53H35N/c1-3-15-36(16-4-1)39-30-31-44(50(35-39)37-17-5-2-6-18-37)40-20-11-22-42(33-40)51-46-25-7-9-27-48(46)52(49-28-10-8-26-47(49)51)43-23-12-21-41(34-43)45-29-13-19-38-24-14-32-54-53(38)45/h1-35H
InChIKeyPZWHZDMPLJHKBP-UHFFFAOYSA-N
MW685.87 g/mol
LogP14.54
Rot. Bonds6

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

8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline (PubChem CID 139394585) has the molecular formula C53H35N and a molecular weight of 685.87 g/mol. Its IUPAC name is 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
PubChem CID139394585
Molecular FormulaC53H35N
Molecular Weight685.87 g/mol
Exact Mass685.28
IUPAC Name8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7cccnc67)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C53H35N/c1-3-15-36(16-4-1)39-30-31-44(50(35-39)37-17-5-2-6-18-37)40-20-11-22-42(33-40)51-46-25-7-9-27-48(46)52(49-28-10-8-26-47(49)51)43-23-12-21-41(34-43)45-29-13-19-38-24-14-32-54-53(38)45/h1-35H
InChIKeyPZWHZDMPLJHKBP-UHFFFAOYSA-N
XLogP14.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 514.54
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-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
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
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
10-naphthalen-1-yl-5-[3-(4-phenylphenyl)phenyl]benzo[g]quinoline
CID 59183418
2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 139394639
8-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]quinoline
CID 146665542
9-[3,4-bis(2-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-[3,4-bis(3-phenylphenyl)phenyl]-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 157150348
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
10-naphthalen-2-yl-5-(3-phenylphenyl)benzo[g]quinoline
CID 59183088
8-[4-[4-phenyl-6-[3-(3-phenyltriphenylen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163900129

Frequently Asked Questions

What is the IUPAC name of 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
The IUPAC name of 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline (CID 139394585) is 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline.
What is the SMILES notation for 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
The canonical SMILES for 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline is c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7cccnc67)c5)c5ccccc45)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
The InChIKey is PZWHZDMPLJHKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N/c1-3-15-36(16-4-1)39-30-31-44(50(35-39)37-17-5-2-6-18-37)40-20-11-22-42(33-40)51-46-25-7-9-27-48(46)52(49-28-10-8-26-47(49)51)43-23-12-21-41(34-43)45-29-13-19-38-24-14-32-54-53(38)45/h1-35H.
What are the key properties of 8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline?
8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline has a molecular weight of 685.87 g/mol, XLogP of 14.54, 6 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-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline is sourced from PubChem (CID 139394585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).