9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole

C81H60N2S2 — CID 59236383

IUPAC9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)cc21
InChIInChI=1S/C81H60N2S2/c1-79(2)67-19-11-7-15-57(67)61-37-29-53(47-71(61)79)82-73-21-13-9-17-63(73)65-45-51(27-39-75(65)82)77-41-33-55(84-77)31-23-49-25-35-59-60-36-26-50(44-70(60)81(5,6)69(59)43-49)24-32-56-34-42-78(85-56)52-28-40-76-66(46-52)64-18-10-14-22-74(64)83(76)54-30-38-62-58-16-8-12-20-68(58)80(3,4)72(62)48-54/h7-48H,1-6H3/b31-23+,32-24+
InChIKeyAJAPNYCGTMILKF-QBRCKEFASA-N
MW1125.52 g/mol
LogP22.60
Rot. Bonds8

About 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole

9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole (PubChem CID 59236383) has the molecular formula C81H60N2S2 and a molecular weight of 1125.52 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole
PubChem CID59236383
Molecular FormulaC81H60N2S2
Molecular Weight1125.52 g/mol
Exact Mass1124.42
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole
SMILESCC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)cc21
InChIInChI=1S/C81H60N2S2/c1-79(2)67-19-11-7-15-57(67)61-37-29-53(47-71(61)79)82-73-21-13-9-17-63(73)65-45-51(27-39-75(65)82)77-41-33-55(84-77)31-23-49-25-35-59-60-36-26-50(44-70(60)81(5,6)69(59)43-49)24-32-56-34-42-78(85-56)52-28-40-76-66(46-52)64-18-10-14-22-74(64)83(76)54-30-38-62-58-16-8-12-20-68(58)80(3,4)72(62)48-54/h7-48H,1-6H3/b31-23+,32-24+
InChIKeyAJAPNYCGTMILKF-QBRCKEFASA-N
XLogP22.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.52
LogP ≤ 522.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole (CID 59236383) is 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole is CC1(C)c2cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)ccc2-c2ccc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(C)(C)c4ccccc4-5)s3)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole?
The InChIKey is AJAPNYCGTMILKF-QBRCKEFASA-N. The full InChI is InChI=1S/C81H60N2S2/c1-79(2)67-19-11-7-15-57(67)61-37-29-53(47-71(61)79)82-73-21-13-9-17-63(73)65-45-51(27-39-75(65)82)77-41-33-55(84-77)31-23-49-25-35-59-60-36-26-50(44-70(60)81(5,6)69(59)43-49)24-32-56-34-42-78(85-56)52-28-40-76-66(46-52)64-18-10-14-22-74(64)83(76)54-30-38-62-58-16-8-12-20-68(58)80(3,4)72(62)48-54/h7-48H,1-6H3/b31-23+,32-24+.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole?
9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole has a molecular weight of 1125.52 g/mol, XLogP of 22.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-3-[5-[(E)-2-[7-[(E)-2-[5-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]thiophen-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]thiophen-2-yl]carbazole is sourced from PubChem (CID 59236383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).