4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene

C62H40 — CID 123540167

IUPAC4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
SMILESc1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc45)c3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C62H40/c1-4-18-41(19-5-1)58-39-49(40-59(42-20-6-2-7-21-42)60(58)43-22-8-3-9-23-43)45-26-16-27-48(37-45)61-53-28-12-14-30-55(53)62(56-31-15-13-29-54(56)61)52-33-17-32-50-51(52)35-34-47-36-44-24-10-11-25-46(44)38-57(47)50/h1-40H
InChIKeyCUDULLJRHBDKGO-UHFFFAOYSA-N
MW785.00 g/mol
LogP17.45
Rot. Bonds6

About 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene

4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene (PubChem CID 123540167) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene.

Molecular Properties

Compound Name4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
PubChem CID123540167
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
SMILESc1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc45)c3)cc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C62H40/c1-4-18-41(19-5-1)58-39-49(40-59(42-20-6-2-7-21-42)60(58)43-22-8-3-9-23-43)45-26-16-27-48(37-45)61-53-28-12-14-30-55(53)62(56-31-15-13-29-54(56)61)52-33-17-32-50-51(52)35-34-47-36-44-24-10-11-25-46(44)38-57(47)50/h1-40H
InChIKeyCUDULLJRHBDKGO-UHFFFAOYSA-N
XLogP17.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
4,11-bis(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 123941772
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)benzo[a]anthracene;4-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)benzo[a]anthracene;4-[9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene;4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 162211913
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
9-phenanthren-1-yl-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 176590384
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
7-benzo[a]anthracen-4-yl-4-[4-(7-benzo[a]anthracen-4-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412613
9-naphthalen-2-yl-10-[3-phenyl-4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]anthracene;2,6,9-triphenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 161195272
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923
5-(2,5-diphenylphenyl)-12-phenyltetracene;5-(3,5-diphenylphenyl)-12-phenyltetracene;5-(2-phenylphenyl)-12-(3-phenylphenyl)tetracene;5-phenyl-12-(2-phenylphenyl)tetracene;5-phenyl-12-(3-phenylphenyl)tetracene
CID 158460442
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(3-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;10-(3,5-diphenylphenyl)-2,9-dinaphthalen-1-ylanthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2-naphthalen-1-yl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene
CID 167589302

Frequently Asked Questions

What is the IUPAC name of 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene?
The IUPAC name of 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene (CID 123540167) is 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene.
What is the SMILES notation for 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene?
The canonical SMILES for 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene is c1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc45)c3)cc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene?
The InChIKey is CUDULLJRHBDKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-4-18-41(19-5-1)58-39-49(40-59(42-20-6-2-7-21-42)60(58)43-22-8-3-9-23-43)45-26-16-27-48(37-45)61-53-28-12-14-30-55(53)62(56-31-15-13-29-54(56)61)52-33-17-32-50-51(52)35-34-47-36-44-24-10-11-25-46(44)38-57(47)50/h1-40H.
What are the key properties of 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene?
4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene has a molecular weight of 785.00 g/mol, XLogP of 17.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene is sourced from PubChem (CID 123540167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).