9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole

C71H44N4S2 — CID 59236607

IUPAC9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole
SMILESC(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccn2)s1)\c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)s3)ccc1-2
InChIInChI=1S/C71H44N4S2/c1-5-17-59-51(13-1)52-14-2-6-18-60(52)71(59)61-41-45(23-29-49-31-37-67(76-49)47-27-35-65-57(43-47)55-15-3-7-19-63(55)74(65)69-21-9-11-39-72-69)25-33-53(61)54-34-26-46(42-62(54)71)24-30-50-32-38-68(77-50)48-28-36-66-58(44-48)56-16-4-8-20-64(56)75(66)70-22-10-12-40-73-70/h1-44H/b29-23+,30-24+
InChIKeyWXSQHODHMLKFRP-HCTXVGCHSA-N
MW1017.29 g/mol
LogP18.81
Rot. Bonds8

About 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole

9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole (PubChem CID 59236607) has the molecular formula C71H44N4S2 and a molecular weight of 1017.29 g/mol. Its IUPAC name is 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole
PubChem CID59236607
Molecular FormulaC71H44N4S2
Molecular Weight1017.29 g/mol
Exact Mass1016.30
IUPAC Name9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole
SMILESC(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccn2)s1)\c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)s3)ccc1-2
InChIInChI=1S/C71H44N4S2/c1-5-17-59-51(13-1)52-14-2-6-18-60(52)71(59)61-41-45(23-29-49-31-37-67(76-49)47-27-35-65-57(43-47)55-15-3-7-19-63(55)74(65)69-21-9-11-39-72-69)25-33-53(61)54-34-26-46(42-62(54)71)24-30-50-32-38-68(77-50)48-28-36-66-58(44-48)56-16-4-8-20-64(56)75(66)70-22-10-12-40-73-70/h1-44H/b29-23+,30-24+
InChIKeyWXSQHODHMLKFRP-HCTXVGCHSA-N
XLogP18.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.29
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole?
The IUPAC name of 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole (CID 59236607) is 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole is C(=C/c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccn2)s1)\c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(/C=C/c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)s3)ccc1-2.
What is the InChIKey of 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole?
The InChIKey is WXSQHODHMLKFRP-HCTXVGCHSA-N. The full InChI is InChI=1S/C71H44N4S2/c1-5-17-59-51(13-1)52-14-2-6-18-60(52)71(59)61-41-45(23-29-49-31-37-67(76-49)47-27-35-65-57(43-47)55-15-3-7-19-63(55)74(65)69-21-9-11-39-72-69)25-33-53(61)54-34-26-46(42-62(54)71)24-30-50-32-38-68(77-50)48-28-36-66-58(44-48)56-16-4-8-20-64(56)75(66)70-22-10-12-40-73-70/h1-44H/b29-23+,30-24+.
What are the key properties of 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole?
9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole has a molecular weight of 1017.29 g/mol, XLogP of 18.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-3-[5-[(E)-2-[7'-[(E)-2-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]thiophen-2-yl]carbazole is sourced from PubChem (CID 59236607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).