[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone

C65H42N2O — CID 58084688

IUPAC[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone
SMILESCC1(C)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc21
InChIInChI=1S/C65H42N2O/c1-64(2)53-21-9-3-15-43(53)45-31-27-39(35-55(45)64)63(68)40-28-32-46-44-16-4-10-22-54(44)65(56(46)36-40)57-37-41(66-59-23-11-5-17-49(59)50-18-6-12-24-60(50)66)29-33-47(57)48-34-30-42(38-58(48)65)67-61-25-13-7-19-51(61)52-20-8-14-26-62(52)67/h3-38H,1-2H3
InChIKeyDNJJPLOSHQFFDQ-UHFFFAOYSA-N
MW867.06 g/mol
LogP15.76
Rot. Bonds4

About [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone

[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone (PubChem CID 58084688) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone.

Molecular Properties

Compound Name[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone
PubChem CID58084688
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC Name[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone
SMILESCC1(C)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc21
InChIInChI=1S/C65H42N2O/c1-64(2)53-21-9-3-15-43(53)45-31-27-39(35-55(45)64)63(68)40-28-32-46-44-16-4-10-22-54(44)65(56(46)36-40)57-37-41(66-59-23-11-5-17-49(59)50-18-6-12-24-60(50)66)29-33-47(57)48-34-30-42(38-58(48)65)67-61-25-13-7-19-51(61)52-20-8-14-26-62(52)67/h3-38H,1-2H3
InChIKeyDNJJPLOSHQFFDQ-UHFFFAOYSA-N
XLogP15.76
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone?
The IUPAC name of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone (CID 58084688) is [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone.
What is the SMILES notation for [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone?
The canonical SMILES for [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone is CC1(C)c2ccccc2-c2ccc(C(=O)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc21.
What is the InChIKey of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone?
The InChIKey is DNJJPLOSHQFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-64(2)53-21-9-3-15-43(53)45-31-27-39(35-55(45)64)63(68)40-28-32-46-44-16-4-10-22-54(44)65(56(46)36-40)57-37-41(66-59-23-11-5-17-49(59)50-18-6-12-24-60(50)66)29-33-47(57)48-34-30-42(38-58(48)65)67-61-25-13-7-19-51(61)52-20-8-14-26-62(52)67/h3-38H,1-2H3.
What are the key properties of [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone?
[2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone has a molecular weight of 867.06 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2',7'-di(carbazol-9-yl)-9,9'-spirobi[fluorene]-2-yl]-(9,9-dimethylfluoren-2-yl)methanone is sourced from PubChem (CID 58084688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).