4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]

C50H30 — CID 101483568

IUPAC4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C50H30/c1-7-23-39-31(15-1)32-16-2-8-24-40(32)49(39)43-27-11-5-19-37(43)47-35(21-13-29-45(47)49)36-22-14-30-46-48(36)38-20-6-12-28-44(38)50(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)50/h1-30H
InChIKeyDOJYEBOWRDGXFI-UHFFFAOYSA-N
MW630.79 g/mol
LogP12.04
Rot. Bonds1

About 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]

4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene] (PubChem CID 101483568) has the molecular formula C50H30 and a molecular weight of 630.79 g/mol. Its IUPAC name is 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]
PubChem CID101483568
Molecular FormulaC50H30
Molecular Weight630.79 g/mol
Exact Mass630.23
IUPAC Name4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C50H30/c1-7-23-39-31(15-1)32-16-2-8-24-40(32)49(39)43-27-11-5-19-37(43)47-35(21-13-29-45(47)49)36-22-14-30-46-48(36)38-20-6-12-28-44(38)50(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)50/h1-30H
InChIKeyDOJYEBOWRDGXFI-UHFFFAOYSA-N
XLogP12.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene] (CID 101483568) is 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]?
The InChIKey is DOJYEBOWRDGXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30/c1-7-23-39-31(15-1)32-16-2-8-24-40(32)49(39)43-27-11-5-19-37(43)47-35(21-13-29-45(47)49)36-22-14-30-46-48(36)38-20-6-12-28-44(38)50(46)41-25-9-3-17-33(41)34-18-4-10-26-42(34)50/h1-30H.
What are the key properties of 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]?
4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene] has a molecular weight of 630.79 g/mol, XLogP of 12.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 101483568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).