9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

C73H44N4 — CID 22638507

IUPAC9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C73H44N4/c1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77/h1-44H
InChIKeyPUMJBASCKOPOOW-UHFFFAOYSA-N
MW977.18 g/mol
LogP18.42
Rot. Bonds4

About 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole

9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (PubChem CID 22638507) has the molecular formula C73H44N4 and a molecular weight of 977.18 g/mol. Its IUPAC name is 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.

Molecular Properties

Compound Name9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
PubChem CID22638507
Molecular FormulaC73H44N4
Molecular Weight977.18 g/mol
Exact Mass976.36
IUPAC Name9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C73H44N4/c1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77/h1-44H
InChIKeyPUMJBASCKOPOOW-UHFFFAOYSA-N
XLogP18.42
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.18
LogP ≤ 518.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The IUPAC name of 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole (CID 22638507) is 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole.
What is the SMILES notation for 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The canonical SMILES for 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3-2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
The InChIKey is PUMJBASCKOPOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N4/c1-9-25-65-53(17-1)54-18-2-10-26-66(54)74(65)45-33-37-49-50-38-34-46(75-67-27-11-3-19-55(67)56-20-4-12-28-68(56)75)42-62(50)73(61(49)41-45)63-43-47(76-69-29-13-5-21-57(69)58-22-6-14-30-70(58)76)35-39-51(63)52-40-36-48(44-64(52)73)77-71-31-15-7-23-59(71)60-24-8-16-32-72(60)77/h1-44H.
What are the key properties of 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole?
9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole has a molecular weight of 977.18 g/mol, XLogP of 18.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2',7,7'-tri(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole is sourced from PubChem (CID 22638507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).