1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene

C44H26S6 — CID 102473044

IUPAC1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
SMILESc1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(-c6sc(-c7ccc(-c8ccccc8)s7)c7ccccc67)s5)s4)c4ccccc34)s2)cc1
InChIInChI=1S/C44H26S6/c1-3-11-27(12-4-1)33-19-23-37(45-33)41-29-15-7-9-17-31(29)43(49-41)39-25-21-35(47-39)36-22-26-40(48-36)44-32-18-10-8-16-30(32)42(50-44)38-24-20-34(46-38)28-13-5-2-6-14-28/h1-26H
InChIKeyNWYLIUIFTGSTKV-UHFFFAOYSA-N
MW747.09 g/mol
LogP16.03
Rot. Bonds7

About 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene

1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene (PubChem CID 102473044) has the molecular formula C44H26S6 and a molecular weight of 747.09 g/mol. Its IUPAC name is 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene.

Molecular Properties

Compound Name1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
PubChem CID102473044
Molecular FormulaC44H26S6
Molecular Weight747.09 g/mol
Exact Mass746.04
IUPAC Name1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
SMILESc1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(-c6sc(-c7ccc(-c8ccccc8)s7)c7ccccc67)s5)s4)c4ccccc34)s2)cc1
InChIInChI=1S/C44H26S6/c1-3-11-27(12-4-1)33-19-23-37(45-33)41-29-15-7-9-17-31(29)43(49-41)39-25-21-35(47-39)36-22-26-40(48-36)44-32-18-10-8-16-30(32)42(50-44)38-24-20-34(46-38)28-13-5-2-6-14-28/h1-26H
InChIKeyNWYLIUIFTGSTKV-UHFFFAOYSA-N
XLogP16.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.09
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
CID 11734344
2-[4-(10-methylanthracen-9-yl)phenyl]-5-(5-phenylthiophen-2-yl)thiophene
CID 58876225
2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 86000641
2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
CID 139982056
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
2,5-bis(3,5-diphenylphenyl)thiophene
CID 175285531
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 164820260
2-phenyl-5-[3-[10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracen-9-yl]phenyl]thiophene
CID 58876046
1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[4-(5-phenylthiophen-2-yl)-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 159275595
N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 59650430
[4-(5-phenylthiophen-2-yl)phenyl]boronic acid
CID 58281759

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene?
The IUPAC name of 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene (CID 102473044) is 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene.
What is the SMILES notation for 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene?
The canonical SMILES for 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene is c1ccc(-c2ccc(-c3sc(-c4ccc(-c5ccc(-c6sc(-c7ccc(-c8ccccc8)s7)c7ccccc67)s5)s4)c4ccccc34)s2)cc1.
What is the InChIKey of 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene?
The InChIKey is NWYLIUIFTGSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26S6/c1-3-11-27(12-4-1)33-19-23-37(45-33)41-29-15-7-9-17-31(29)43(49-41)39-25-21-35(47-39)36-22-26-40(48-36)44-32-18-10-8-16-30(32)42(50-44)38-24-20-34(46-38)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene?
1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene has a molecular weight of 747.09 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene is sourced from PubChem (CID 102473044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).