2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene

C66H44S2 — CID 89218133

IUPAC2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene
SMILESC1=Cc2ccc(-c3c4c(c(-c5ccc(-c6ccc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccccc9c(-c9ccc%10ccccc%10c9)c8c7)s6)s5)c5ccccc35)=CCCC=4)cc2CC1
InChIInChI=1S/C66H44S2/c1-4-16-44-37-48(28-25-41(44)13-1)63-53-21-9-11-23-55(53)66(56-24-12-10-22-54(56)63)62-36-35-61(68-62)60-34-33-59(67-60)47-31-32-57-58(40-47)65(50-30-27-43-15-3-6-18-46(43)39-50)52-20-8-7-19-51(52)64(57)49-29-26-42-14-2-5-17-45(42)38-49/h1-3,5-9,11,13-15,17-40H,4,10,12,16H2
InChIKeyXWTNQZPCMPMQHA-UHFFFAOYSA-N
MW901.21 g/mol
LogP17.89
Rot. Bonds6

About 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene

2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene (PubChem CID 89218133) has the molecular formula C66H44S2 and a molecular weight of 901.21 g/mol. Its IUPAC name is 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene
PubChem CID89218133
Molecular FormulaC66H44S2
Molecular Weight901.21 g/mol
Exact Mass900.29
IUPAC Name2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene
SMILESC1=Cc2ccc(-c3c4c(c(-c5ccc(-c6ccc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccccc9c(-c9ccc%10ccccc%10c9)c8c7)s6)s5)c5ccccc35)=CCCC=4)cc2CC1
InChIInChI=1S/C66H44S2/c1-4-16-44-37-48(28-25-41(44)13-1)63-53-21-9-11-23-55(53)66(56-24-12-10-22-54(56)63)62-36-35-61(68-62)60-34-33-59(67-60)47-31-32-57-58(40-47)65(50-30-27-43-15-3-6-18-46(43)39-50)52-20-8-7-19-51(52)64(57)49-29-26-42-14-2-5-17-45(42)38-49/h1-3,5-9,11,13-15,17-40H,4,10,12,16H2
InChIKeyXWTNQZPCMPMQHA-UHFFFAOYSA-N
XLogP17.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.21
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene with MolForge

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Related Compounds

9-(7,8-dihydronaphthalen-2-yl)-10-(6,7-dihydrophenanthren-9-yl)-2,3-dihydroanthracene
CID 123848237
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
CID 58963478
4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene
CID 149209339
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
CID 70959813
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-[5-[10-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]anthracen-9-yl]thiophen-2-yl]thiophene
CID 118910452
9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole
CID 70902526
2-N-cyclohexa-1,5-dien-1-yl-9-(5,6-dihydronaphthalen-2-yl)-10-naphthalen-2-yl-2-N,6-N,6-N-triphenylanthracene-2,6-diamine
CID 88562951
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
1-(9,10-dinaphthalen-2-yl-6,7-dihydroanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine
CID 170007448
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046

Frequently Asked Questions

What is the IUPAC name of 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene (CID 89218133) is 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene is C1=Cc2ccc(-c3c4c(c(-c5ccc(-c6ccc(-c7ccc8c(-c9ccc%10ccccc%10c9)c9ccccc9c(-c9ccc%10ccccc%10c9)c8c7)s6)s5)c5ccccc35)=CCCC=4)cc2CC1.
What is the InChIKey of 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene?
The InChIKey is XWTNQZPCMPMQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44S2/c1-4-16-44-37-48(28-25-41(44)13-1)63-53-21-9-11-23-55(53)66(56-24-12-10-22-54(56)63)62-36-35-61(68-62)60-34-33-59(67-60)47-31-32-57-58(40-47)65(50-30-27-43-15-3-6-18-46(43)39-50)52-20-8-7-19-51(52)64(57)49-29-26-42-14-2-5-17-45(42)38-49/h1-3,5-9,11,13-15,17-40H,4,10,12,16H2.
What are the key properties of 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene?
2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene has a molecular weight of 901.21 g/mol, XLogP of 17.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 89218133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).