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

C63H42S2 — CID 118910452

IUPAC2-(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
SMILESC/C=C\C=C/C=C/c1c2ccccc2c(-c2ccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)s3)s2)c2ccccc12
InChIInChI=1S/C63H42S2/c1-2-3-4-5-6-21-48-49-22-11-13-24-51(49)63(52-25-14-12-23-50(48)52)60-37-36-59(65-60)58-35-34-57(64-58)45-32-33-55-56(40-45)62(47-31-29-42-18-8-10-20-44(42)39-47)54-27-16-15-26-53(54)61(55)46-30-28-41-17-7-9-19-43(41)38-46/h2-40H,1H3/b3-2-,5-4-,21-6+
InChIKeyQRLOOBIWDPYZQU-QUEUZGMMSA-N
MW863.16 g/mol
LogP19.21
Rot. Bonds8

About 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

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 (PubChem CID 118910452) has the molecular formula C63H42S2 and a molecular weight of 863.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID118910452
Molecular FormulaC63H42S2
Molecular Weight863.16 g/mol
Exact Mass862.27
IUPAC Name2-(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
SMILESC/C=C\C=C/C=C/c1c2ccccc2c(-c2ccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)s3)s2)c2ccccc12
InChIInChI=1S/C63H42S2/c1-2-3-4-5-6-21-48-49-22-11-13-24-51(49)63(52-25-14-12-23-50(48)52)60-37-36-59(65-60)58-35-34-57(64-58)45-32-33-55-56(40-45)62(47-31-29-42-18-8-10-20-44(42)39-47)54-27-16-15-26-53(54)61(55)46-30-28-41-17-7-9-19-43(41)38-46/h2-40H,1H3/b3-2-,5-4-,21-6+
InChIKeyQRLOOBIWDPYZQU-QUEUZGMMSA-N
XLogP19.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.16
LogP ≤ 519.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-(10-phenylanthracen-9-yl)thiophene
CID 58963478
4-[10-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]anthracen-9-yl]benzo[a]anthracene;2,9,10-trinaphthalen-2-ylanthracene
CID 145348035
2-[4-[2-(10-naphthalen-2-ylanthracen-9-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58963498
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
9,10-dinaphthalen-2-yl-2-[4-[(E)-2-(10-phenylanthracen-9-yl)ethenyl]phenyl]anthracene
CID 58963379
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
CID 145000887
2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
CID 59342673
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C\C=C/C=C/c1c2ccccc2c(-c2ccc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)s3)s2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is QRLOOBIWDPYZQU-QUEUZGMMSA-N. The full InChI is InChI=1S/C63H42S2/c1-2-3-4-5-6-21-48-49-22-11-13-24-51(49)63(52-25-14-12-23-50(48)52)60-37-36-59(65-60)58-35-34-57(64-58)45-32-33-55-56(40-45)62(47-31-29-42-18-8-10-20-44(42)39-47)54-27-16-15-26-53(54)61(55)46-30-28-41-17-7-9-19-43(41)38-46/h2-40H,1H3/b3-2-,5-4-,21-6+.
What are the key properties of 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?
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 has a molecular weight of 863.16 g/mol, XLogP of 19.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118910452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).