2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole

C186H117N3S12 — CID 161002444

IUPAC2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole
SMILESc1cc(-c2sccc2-c2cc(-c3ccsc3-c3cc[nH]c3)cc(-c3ccsc3-c3cc[nH]c3)c2)c[nH]1.c1ccc2c(-c3sccc3-c3cc(-c4ccsc4-c4cccc5ccccc45)cc(-c4ccsc4-c4cccc5ccccc45)c3)cccc2c1.c1ccc2cc(-c3sccc3-c3cc(-c4ccsc4-c4ccc5ccccc5c4)cc(-c4ccsc4-c4ccc5ccccc5c4)c3)ccc2c1.c1ccc2cc3cc(-c4sccc4-c4cc(-c5ccsc5-c5ccc6cc7ccccc7cc6c5)cc(-c5ccsc5-c5ccc6cc7ccccc7cc6c5)c4)ccc3cc2c1
InChIInChI=1S/C60H36S3.2C48H30S3.C30H21N3S3/c1-4-10-40-28-49-31-46(16-13-43(49)25-37(40)7-1)58-55(19-22-61-58)52-34-53(56-20-23-62-59(56)47-17-14-44-26-38-8-2-5-11-41(38)29-50(44)32-47)36-54(35-52)57-21-24-63-60(57)48-18-15-45-27-39-9-3-6-12-42(39)30-51(45)33-48;1-4-16-37-31(10-1)13-7-19-43(37)46-40(22-25-49-46)34-28-35(41-23-26-50-47(41)44-20-8-14-32-11-2-5-17-38(32)44)30-36(29-34)42-24-27-51-48(42)45-21-9-15-33-12-3-6-18-39(33)45;1-4-10-34-25-37(16-13-31(34)7-1)46-43(19-22-49-46)40-28-41(44-20-23-50-47(44)38-17-14-32-8-2-5-11-35(32)26-38)30-42(29-40)45-21-24-51-48(45)39-18-15-33-9-3-6-12-36(33)27-39;1-7-31-16-19(1)28-25(4-10-34-28)22-13-23(26-5-11-35-29(26)20-2-8-32-17-20)15-24(14-22)27-6-12-36-30(27)21-3-9-33-18-21/h1-36H;2*1-30H;1-18,31-33H
InChIKeyTWBFAPJFXJJGCE-UHFFFAOYSA-N
MW2778.81 g/mol
LogP59.32
Rot. Bonds24

About 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole

2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole (PubChem CID 161002444) has the molecular formula C186H117N3S12 and a molecular weight of 2778.81 g/mol. Its IUPAC name is 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole
PubChem CID161002444
Molecular FormulaC186H117N3S12
Molecular Weight2778.81 g/mol
Exact Mass2775.59
IUPAC Name2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole
SMILESc1cc(-c2sccc2-c2cc(-c3ccsc3-c3cc[nH]c3)cc(-c3ccsc3-c3cc[nH]c3)c2)c[nH]1.c1ccc2c(-c3sccc3-c3cc(-c4ccsc4-c4cccc5ccccc45)cc(-c4ccsc4-c4cccc5ccccc45)c3)cccc2c1.c1ccc2cc(-c3sccc3-c3cc(-c4ccsc4-c4ccc5ccccc5c4)cc(-c4ccsc4-c4ccc5ccccc5c4)c3)ccc2c1.c1ccc2cc3cc(-c4sccc4-c4cc(-c5ccsc5-c5ccc6cc7ccccc7cc6c5)cc(-c5ccsc5-c5ccc6cc7ccccc7cc6c5)c4)ccc3cc2c1
InChIInChI=1S/C60H36S3.2C48H30S3.C30H21N3S3/c1-4-10-40-28-49-31-46(16-13-43(49)25-37(40)7-1)58-55(19-22-61-58)52-34-53(56-20-23-62-59(56)47-17-14-44-26-38-8-2-5-11-41(38)29-50(44)32-47)36-54(35-52)57-21-24-63-60(57)48-18-15-45-27-39-9-3-6-12-42(39)30-51(45)33-48;1-4-16-37-31(10-1)13-7-19-43(37)46-40(22-25-49-46)34-28-35(41-23-26-50-47(41)44-20-8-14-32-11-2-5-17-38(32)44)30-36(29-34)42-24-27-51-48(42)45-21-9-15-33-12-3-6-18-39(33)45;1-4-10-34-25-37(16-13-31(34)7-1)46-43(19-22-49-46)40-28-41(44-20-23-50-47(44)38-17-14-32-8-2-5-11-35(32)26-38)30-42(29-40)45-21-24-51-48(45)39-18-15-33-9-3-6-12-36(33)27-39;1-7-31-16-19(1)28-25(4-10-34-28)22-13-23(26-5-11-35-29(26)20-2-8-32-17-20)15-24(14-22)27-6-12-36-30(27)21-3-9-33-18-21/h1-36H;2*1-30H;1-18,31-33H
InChIKeyTWBFAPJFXJJGCE-UHFFFAOYSA-N
XLogP59.32
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.81
LogP ≤ 559.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole with MolForge

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Related Compounds

3-naphthalen-1-yl-1H-pyrrole
CID 19602051
2-naphthalen-1-ylanthracene
CID 2748705
1-[3-naphthalen-2-yl-5-[4-[4-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]naphthalene
CID 18710973
2-naphthalen-1-yl-6-[6-[7-(6-naphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 143886225
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2H-indeno[1,2-c]pyridine
CID 54326183
4-(3-naphthalen-1-ylthiophen-2-yl)-N-[4-(3-naphthalen-1-ylthiophen-2-yl)phenyl]aniline
CID 175189327
1-[4-[3-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]naphthalene
CID 168844837
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 123979832
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole?
The IUPAC name of 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole (CID 161002444) is 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole.
What is the SMILES notation for 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole?
The canonical SMILES for 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole is c1cc(-c2sccc2-c2cc(-c3ccsc3-c3cc[nH]c3)cc(-c3ccsc3-c3cc[nH]c3)c2)c[nH]1.c1ccc2c(-c3sccc3-c3cc(-c4ccsc4-c4cccc5ccccc45)cc(-c4ccsc4-c4cccc5ccccc45)c3)cccc2c1.c1ccc2cc(-c3sccc3-c3cc(-c4ccsc4-c4ccc5ccccc5c4)cc(-c4ccsc4-c4ccc5ccccc5c4)c3)ccc2c1.c1ccc2cc3cc(-c4sccc4-c4cc(-c5ccsc5-c5ccc6cc7ccccc7cc6c5)cc(-c5ccsc5-c5ccc6cc7ccccc7cc6c5)c4)ccc3cc2c1.
What is the InChIKey of 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole?
The InChIKey is TWBFAPJFXJJGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36S3.2C48H30S3.C30H21N3S3/c1-4-10-40-28-49-31-46(16-13-43(49)25-37(40)7-1)58-55(19-22-61-58)52-34-53(56-20-23-62-59(56)47-17-14-44-26-38-8-2-5-11-41(38)29-50(44)32-47)36-54(35-52)57-21-24-63-60(57)48-18-15-45-27-39-9-3-6-12-42(39)30-51(45)33-48;1-4-16-37-31(10-1)13-7-19-43(37)46-40(22-25-49-46)34-28-35(41-23-26-50-47(41)44-20-8-14-32-11-2-5-17-38(32)44)30-36(29-34)42-24-27-51-48(42)45-21-9-15-33-12-3-6-18-39(33)45;1-4-10-34-25-37(16-13-31(34)7-1)46-43(19-22-49-46)40-28-41(44-20-23-50-47(44)38-17-14-32-8-2-5-11-35(32)26-38)30-42(29-40)45-21-24-51-48(45)39-18-15-33-9-3-6-12-36(33)27-39;1-7-31-16-19(1)28-25(4-10-34-28)22-13-23(26-5-11-35-29(26)20-2-8-32-17-20)15-24(14-22)27-6-12-36-30(27)21-3-9-33-18-21/h1-36H;2*1-30H;1-18,31-33H.
What are the key properties of 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole?
2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole has a molecular weight of 2778.81 g/mol, XLogP of 59.32, 24 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yl-3-[3,5-bis(2-anthracen-2-ylthiophen-3-yl)phenyl]thiophene;3-[3,5-bis(2-naphthalen-1-ylthiophen-3-yl)phenyl]-2-naphthalen-1-ylthiophene;3-[3,5-bis(2-naphthalen-2-ylthiophen-3-yl)phenyl]-2-naphthalen-2-ylthiophene;3-[3-[3,5-bis[2-(1H-pyrrol-3-yl)thiophen-3-yl]phenyl]thiophen-2-yl]-1H-pyrrole is sourced from PubChem (CID 161002444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).