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

C67H40N4S2 — CID 59236127

IUPAC9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccn8)s7)ccc5-6)s4)ccc32)nc1
InChIInChI=1S/C67H40N4S2/c1-5-17-53-45(13-1)46-14-2-6-18-54(46)67(53)55-39-43(63-33-31-61(72-63)41-25-29-59-51(37-41)49-15-3-7-19-57(49)70(59)65-21-9-11-35-68-65)23-27-47(55)48-28-24-44(40-56(48)67)64-34-32-62(73-64)42-26-30-60-52(38-42)50-16-4-8-20-58(50)71(60)66-22-10-12-36-69-66/h1-40H
InChIKeyPJZPHCNBMYOWDA-UHFFFAOYSA-N
MW965.22 g/mol
LogP17.81
Rot. Bonds6

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

9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole (PubChem CID 59236127) has the molecular formula C67H40N4S2 and a molecular weight of 965.22 g/mol. Its IUPAC name is 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole
PubChem CID59236127
Molecular FormulaC67H40N4S2
Molecular Weight965.22 g/mol
Exact Mass964.27
IUPAC Name9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccn8)s7)ccc5-6)s4)ccc32)nc1
InChIInChI=1S/C67H40N4S2/c1-5-17-53-45(13-1)46-14-2-6-18-54(46)67(53)55-39-43(63-33-31-61(72-63)41-25-29-59-51(37-41)49-15-3-7-19-57(49)70(59)65-21-9-11-35-68-65)23-27-47(55)48-28-24-44(40-56(48)67)64-34-32-62(73-64)42-26-30-60-52(38-42)50-16-4-8-20-58(50)71(60)66-22-10-12-36-69-66/h1-40H
InChIKeyPJZPHCNBMYOWDA-UHFFFAOYSA-N
XLogP17.81
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.22
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
The IUPAC name of 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole (CID 59236127) is 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccn8)s7)ccc5-6)s4)ccc32)nc1.
What is the InChIKey of 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
The InChIKey is PJZPHCNBMYOWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N4S2/c1-5-17-53-45(13-1)46-14-2-6-18-54(46)67(53)55-39-43(63-33-31-61(72-63)41-25-29-59-51(37-41)49-15-3-7-19-57(49)70(59)65-21-9-11-35-68-65)23-27-47(55)48-28-24-44(40-56(48)67)64-34-32-62(73-64)42-26-30-60-52(38-42)50-16-4-8-20-58(50)71(60)66-22-10-12-36-69-66/h1-40H.
What are the key properties of 9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole?
9-pyridin-2-yl-3-[5-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole has a molecular weight of 965.22 g/mol, XLogP of 17.81, 6 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-[7'-[5-(9-pyridin-2-ylcarbazol-3-yl)thiophen-2-yl]-9,9'-spirobi[fluorene]-2'-yl]thiophen-2-yl]carbazole is sourced from PubChem (CID 59236127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).