2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene

C40H34S2 — CID 71446326

IUPAC2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene
SMILESCCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)s4)s3)ccc1-2
InChIInChI=1S/C40H34S2/c1-2-3-4-5-8-26-11-14-34-30(21-26)25-32-24-29(13-16-36(32)34)38-18-20-40(42-38)39-19-17-37(41-39)28-12-15-35-31(23-28)22-27-9-6-7-10-33(27)35/h6-7,9-21,23-24H,2-5,8,22,25H2,1H3
InChIKeyZUZHAHZUDYTNIL-UHFFFAOYSA-N
MW578.85 g/mol
LogP12.08
Rot. Bonds8

About 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene

2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene (PubChem CID 71446326) has the molecular formula C40H34S2 and a molecular weight of 578.85 g/mol. Its IUPAC name is 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene
PubChem CID71446326
Molecular FormulaC40H34S2
Molecular Weight578.85 g/mol
Exact Mass578.21
IUPAC Name2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene
SMILESCCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)s4)s3)ccc1-2
InChIInChI=1S/C40H34S2/c1-2-3-4-5-8-26-11-14-34-30(21-26)25-32-24-29(13-16-36(32)34)38-18-20-40(42-38)39-19-17-37(41-39)28-12-15-35-31(23-28)22-27-9-6-7-10-33(27)35/h6-7,9-21,23-24H,2-5,8,22,25H2,1H3
InChIKeyZUZHAHZUDYTNIL-UHFFFAOYSA-N
XLogP12.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.85
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene with MolForge

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Related Compounds

2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
3-docosyl-9H-fluorene
CID 141425169
9H-fluorene;nonylbenzene
CID 161236553
3,4-bis(7-hexyl-9H-fluoren-2-yl)-2-thiophen-2-ylthiophene
CID 175734952
9H-fluorene;henicosane
CID 174789372
1,2-bis(4-octadecylphenyl)-9H-fluorene
CID 150394649
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 139883468
2-non-8-ynyl-9H-fluorene
CID 18927529
2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102074609

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene (CID 71446326) is 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene is CCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(-c4ccc(-c5ccc6c(c5)Cc5ccccc5-6)s4)s3)ccc1-2.
What is the InChIKey of 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene?
The InChIKey is ZUZHAHZUDYTNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34S2/c1-2-3-4-5-8-26-11-14-34-30(21-26)25-32-24-29(13-16-36(32)34)38-18-20-40(42-38)39-19-17-37(41-39)28-12-15-35-31(23-28)22-27-9-6-7-10-33(27)35/h6-7,9-21,23-24H,2-5,8,22,25H2,1H3.
What are the key properties of 2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene?
2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene has a molecular weight of 578.85 g/mol, XLogP of 12.08, 8 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-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 71446326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).