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

C38H30S2 — CID 155449285

IUPAC2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)s4)s3)cc21
InChIInChI=1S/C38H30S2/c1-37(2)29-11-7-5-9-25(29)27-15-13-23(21-31(27)37)33-17-19-35(39-33)36-20-18-34(40-36)24-14-16-28-26-10-6-8-12-30(26)38(3,4)32(28)22-24/h5-22H,1-4H3
InChIKeyFUKNBFMSXMEISM-UHFFFAOYSA-N
MW550.79 g/mol
LogP11.42
Rot. Bonds3

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

2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene (PubChem CID 155449285) has the molecular formula C38H30S2 and a molecular weight of 550.79 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
PubChem CID155449285
Molecular FormulaC38H30S2
Molecular Weight550.79 g/mol
Exact Mass550.18
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)s4)s3)cc21
InChIInChI=1S/C38H30S2/c1-37(2)29-11-7-5-9-25(29)27-15-13-23(21-31(27)37)33-17-19-35(39-33)36-20-18-34(40-36)24-14-16-28-26-10-6-8-12-30(26)38(3,4)32(28)22-24/h5-22H,1-4H3
InChIKeyFUKNBFMSXMEISM-UHFFFAOYSA-N
XLogP11.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.79
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
N-[4-[5-[5-[5-[5-[5-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139939126
7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 102025534
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)-10-[4-(5-phenylthiophen-2-yl)phenyl]acridine;10-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2,7-bis(5-phenylthiophen-2-yl)acridine;9,9-dimethyl-10-(4-phenylphenyl)-2,7-bis(5-phenylthiophen-2-yl)acridine
CID 158467826
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2,5-bis(12,12,22,22-tetramethyl-9-phenyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)thiophene
CID 134271458

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene (CID 155449285) is 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)s4)s3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene?
The InChIKey is FUKNBFMSXMEISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30S2/c1-37(2)29-11-7-5-9-25(29)27-15-13-23(21-31(27)37)33-17-19-35(39-33)36-20-18-34(40-36)24-14-16-28-26-10-6-8-12-30(26)38(3,4)32(28)22-24/h5-22H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene?
2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene has a molecular weight of 550.79 g/mol, XLogP of 11.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-5-[5-(9,9-dimethylfluoren-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 155449285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).