2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene

C34H22S2 — CID 21028430

IUPAC2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene
SMILESc1ccc2c(c1)Cc1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)s4)s3)ccc1-2
InChIInChI=1S/C34H22S2/c1-3-7-27-21(5-1)17-25-19-23(9-11-29(25)27)31-13-15-33(35-31)34-16-14-32(36-34)24-10-12-30-26(20-24)18-22-6-2-4-8-28(22)30/h1-16,19-20H,17-18H2
InChIKeyBYGHZDSINXXOSM-UHFFFAOYSA-N
MW494.68 g/mol
LogP9.95
Rot. Bonds3

About 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene

2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene (PubChem CID 21028430) has the molecular formula C34H22S2 and a molecular weight of 494.68 g/mol. Its IUPAC name is 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene
PubChem CID21028430
Molecular FormulaC34H22S2
Molecular Weight494.68 g/mol
Exact Mass494.12
IUPAC Name2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene
SMILESc1ccc2c(c1)Cc1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)s4)s3)ccc1-2
InChIInChI=1S/C34H22S2/c1-3-7-27-21(5-1)17-25-19-23(9-11-29(25)27)31-13-15-33(35-31)34-16-14-32(36-34)24-10-12-30-26(20-24)18-22-6-2-4-8-28(22)30/h1-16,19-20H,17-18H2
InChIKeyBYGHZDSINXXOSM-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.68
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene (CID 21028430) is 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene is c1ccc2c(c1)Cc1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)s4)s3)ccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene?
The InChIKey is BYGHZDSINXXOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22S2/c1-3-7-27-21(5-1)17-25-19-23(9-11-29(25)27)31-13-15-33(35-31)34-16-14-32(36-34)24-10-12-30-26(20-24)18-22-6-2-4-8-28(22)30/h1-16,19-20H,17-18H2.
What are the key properties of 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene?
2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene has a molecular weight of 494.68 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 21028430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).