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

C73H44N4O — CID 132604179

IUPAC9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C73H44N4O/c1-9-25-63-51(17-1)52-18-2-10-26-64(52)74(63)45-33-37-49-50-38-34-46(75-65-27-11-3-19-53(65)54-20-4-12-28-66(54)75)42-60(50)73(59(49)41-45)61-43-47(76-67-29-13-5-21-55(67)56-22-6-14-30-68(56)76)35-39-71(61)78-72-40-36-48(44-62(72)73)77-69-31-15-7-23-57(69)58-24-8-16-32-70(58)77/h1-44H
InChIKeyNEFNRGXUUHDDFK-UHFFFAOYSA-N
MW993.18 g/mol
LogP18.54
Rot. Bonds4

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

9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole (PubChem CID 132604179) has the molecular formula C73H44N4O and a molecular weight of 993.18 g/mol. Its IUPAC name is 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole.

Molecular Properties

Compound Name9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole
PubChem CID132604179
Molecular FormulaC73H44N4O
Molecular Weight993.18 g/mol
Exact Mass992.35
IUPAC Name9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C73H44N4O/c1-9-25-63-51(17-1)52-18-2-10-26-64(52)74(63)45-33-37-49-50-38-34-46(75-65-27-11-3-19-53(65)54-20-4-12-28-66(54)75)42-60(50)73(59(49)41-45)61-43-47(76-67-29-13-5-21-55(67)56-22-6-14-30-68(56)76)35-39-71(61)78-72-40-36-48(44-62(72)73)77-69-31-15-7-23-57(69)58-24-8-16-32-70(58)77/h1-44H
InChIKeyNEFNRGXUUHDDFK-UHFFFAOYSA-N
XLogP18.54
TPSA28.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.18
LogP ≤ 518.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole?
The IUPAC name of 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole (CID 132604179) is 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole.
What is the SMILES notation for 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole?
The canonical SMILES for 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)C1(c3cc(-n4c5ccccc5c5ccccc54)ccc3O2)c2cc(-n3c4ccccc4c4ccccc43)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole?
The InChIKey is NEFNRGXUUHDDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N4O/c1-9-25-63-51(17-1)52-18-2-10-26-64(52)74(63)45-33-37-49-50-38-34-46(75-65-27-11-3-19-53(65)54-20-4-12-28-66(54)75)42-60(50)73(59(49)41-45)61-43-47(76-67-29-13-5-21-55(67)56-22-6-14-30-68(56)76)35-39-71(61)78-72-40-36-48(44-62(72)73)77-69-31-15-7-23-57(69)58-24-8-16-32-70(58)77/h1-44H.
What are the key properties of 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole?
9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole has a molecular weight of 993.18 g/mol, XLogP of 18.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2',7,7'-tri(carbazol-9-yl)spiro[fluorene-9,9'-xanthene]-2-yl]carbazole is sourced from PubChem (CID 132604179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).