2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene

C40H34S2 — CID 59167067

IUPAC2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)s4)s3)ccc1-2
InChIInChI=1S/C40H34S2/c1-23-7-11-27-29-13-9-25(21-33(29)39(3,4)31(27)19-23)35-15-17-37(41-35)38-18-16-36(42-38)26-10-14-30-28-12-8-24(2)20-32(28)40(5,6)34(30)22-26/h7-22H,1-6H3
InChIKeyAXAMQSUPANIMCY-UHFFFAOYSA-N
MW578.85 g/mol
LogP12.04
Rot. Bonds3

About 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene

2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene (PubChem CID 59167067) has the molecular formula C40H34S2 and a molecular weight of 578.85 g/mol. Its IUPAC name is 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
PubChem CID59167067
Molecular FormulaC40H34S2
Molecular Weight578.85 g/mol
Exact Mass578.21
IUPAC Name2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)s4)s3)ccc1-2
InChIInChI=1S/C40H34S2/c1-23-7-11-27-29-13-9-25(21-33(29)39(3,4)31(27)19-23)35-15-17-37(41-35)38-18-16-36(42-38)26-10-14-30-28-12-8-24(2)20-32(28)40(5,6)34(30)22-26/h7-22H,1-6H3
InChIKeyAXAMQSUPANIMCY-UHFFFAOYSA-N
XLogP12.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.85
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene (CID 59167067) is 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene is Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(C)ccc5-6)s4)s3)ccc1-2.
What is the InChIKey of 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene?
The InChIKey is AXAMQSUPANIMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34S2/c1-23-7-11-27-29-13-9-25(21-33(29)39(3,4)31(27)19-23)35-15-17-37(41-35)38-18-16-36(42-38)26-10-14-30-28-12-8-24(2)20-32(28)40(5,6)34(30)22-26/h7-22H,1-6H3.
What are the key properties of 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene?
2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene has a molecular weight of 578.85 g/mol, XLogP of 12.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 59167067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).