1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene

C63H44 — CID 91043371

IUPAC1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene
SMILESCC1CC=Cc2c1c(-c1ccccc1)c1cc(-c3ccccc3)ccc1c2-c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C63H44/c1-41-17-16-30-57-59(41)62(44-21-6-3-7-22-44)58-40-48(42-18-4-2-5-19-42)37-38-56(58)61(57)46-34-32-45(33-35-46)60-52-26-12-14-28-54(52)63(55-29-15-13-27-53(55)60)51-25-11-10-24-50(51)49-36-31-43-20-8-9-23-47(43)39-49/h2-16,18-41H,17H2,1H3
InChIKeyAEXWKRFYPYJJQO-UHFFFAOYSA-N
MW801.05 g/mol
LogP17.82
Rot. Bonds6

About 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene

1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene (PubChem CID 91043371) has the molecular formula C63H44 and a molecular weight of 801.05 g/mol. Its IUPAC name is 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene.

Molecular Properties

Compound Name1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene
PubChem CID91043371
Molecular FormulaC63H44
Molecular Weight801.05 g/mol
Exact Mass800.34
IUPAC Name1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene
SMILESCC1CC=Cc2c1c(-c1ccccc1)c1cc(-c3ccccc3)ccc1c2-c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C63H44/c1-41-17-16-30-57-59(41)62(44-21-6-3-7-22-44)58-40-48(42-18-4-2-5-19-42)37-38-56(58)61(57)46-34-32-45(33-35-46)60-52-26-12-14-28-54(52)63(55-29-15-13-27-53(55)60)51-25-11-10-24-50(51)49-36-31-43-20-8-9-23-47(43)39-49/h2-16,18-41H,17H2,1H3
InChIKeyAEXWKRFYPYJJQO-UHFFFAOYSA-N
XLogP17.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.05
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-9-(4-naphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 159983739
9-(2-naphthalen-2-ylphenyl)-10-phenanthren-9-yl-2-phenylanthracene
CID 58323397
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
9-(4-naphthalen-2-ylphenyl)-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123334632
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene?
The IUPAC name of 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene (CID 91043371) is 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene.
What is the SMILES notation for 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene?
The canonical SMILES for 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene is CC1CC=Cc2c1c(-c1ccccc1)c1cc(-c3ccccc3)ccc1c2-c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene?
The InChIKey is AEXWKRFYPYJJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44/c1-41-17-16-30-57-59(41)62(44-21-6-3-7-22-44)58-40-48(42-18-4-2-5-19-42)37-38-56(58)61(57)46-34-32-45(33-35-46)60-52-26-12-14-28-54(52)63(55-29-15-13-27-53(55)60)51-25-11-10-24-50(51)49-36-31-43-20-8-9-23-47(43)39-49/h2-16,18-41H,17H2,1H3.
What are the key properties of 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene?
1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene has a molecular weight of 801.05 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-10-[4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-7,9-diphenyl-1,2-dihydroanthracene is sourced from PubChem (CID 91043371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).