2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol

C62H42O — CID 88558283

IUPAC2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)c(-c2cccc(-c3c4c(c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc35)C=CCC4)c2)c(-c2ccccc2)c1
InChIInChI=1S/C62H42O/c63-59-32-14-13-25-48(59)47-38-57(40-17-3-1-4-18-40)61(58(39-47)41-19-5-2-6-20-41)46-24-15-23-45(36-46)60-52-26-9-11-28-54(52)62(55-29-12-10-27-53(55)60)51-31-16-30-49-50(51)34-33-44-35-42-21-7-8-22-43(42)37-56(44)49/h1-9,11-26,28-39,63H,10,27H2
InChIKeyMLSGCLJXAMFKFT-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.97
Rot. Bonds6

About 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol

2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol (PubChem CID 88558283) has the molecular formula C62H42O and a molecular weight of 803.02 g/mol. Its IUPAC name is 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol.

Molecular Properties

Compound Name2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
PubChem CID88558283
Molecular FormulaC62H42O
Molecular Weight803.02 g/mol
Exact Mass802.32
IUPAC Name2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)c(-c2cccc(-c3c4c(c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc35)C=CCC4)c2)c(-c2ccccc2)c1
InChIInChI=1S/C62H42O/c63-59-32-14-13-25-48(59)47-38-57(40-17-3-1-4-18-40)61(58(39-47)41-19-5-2-6-20-41)46-24-15-23-45(36-46)60-52-26-9-11-28-54(52)62(55-29-12-10-27-53(55)60)51-31-16-30-49-50(51)34-33-44-35-42-21-7-8-22-43(42)37-56(44)49/h1-9,11-26,28-39,63H,10,27H2
InChIKeyMLSGCLJXAMFKFT-UHFFFAOYSA-N
XLogP16.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[10-[3-(3,4,5-triphenylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 123540167
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
9-[4-(7,8-dihydronaphthalen-1-yl)-3-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143300944
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
2-[2-methyl-5-(10-naphthalen-1-yl-1,2-dihydroanthracen-9-yl)phenyl]benzenethiol
CID 166906974
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
CID 122368009
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
4-(10-benzo[a]anthracen-5-ylanthracen-9-yl)benzo[a]anthracene
CID 59412777
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159025961

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol?
The IUPAC name of 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol (CID 88558283) is 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol.
What is the SMILES notation for 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol?
The canonical SMILES for 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)c(-c2cccc(-c3c4c(c(-c5cccc6c5ccc5cc7ccccc7cc56)c5ccccc35)C=CCC4)c2)c(-c2ccccc2)c1.
What is the InChIKey of 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol?
The InChIKey is MLSGCLJXAMFKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42O/c63-59-32-14-13-25-48(59)47-38-57(40-17-3-1-4-18-40)61(58(39-47)41-19-5-2-6-20-41)46-24-15-23-45(36-46)60-52-26-9-11-28-54(52)62(55-29-12-10-27-53(55)60)51-31-16-30-49-50(51)34-33-44-35-42-21-7-8-22-43(42)37-56(44)49/h1-9,11-26,28-39,63H,10,27H2.
What are the key properties of 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol?
2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol has a molecular weight of 803.02 g/mol, XLogP of 16.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol is sourced from PubChem (CID 88558283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).