2'-deuterio-9,9'-spirobi[fluorene]

C25H16 — CID 100957959

IUPAC2'-deuterio-9,9'-spirobi[fluorene]
SMILES[2H]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H/i5D
InChIKeySNFCXVRWFNAHQX-UICOGKGYSA-N
MW317.41 g/mol
LogP6.03
Rot. Bonds

About 2'-deuterio-9,9'-spirobi[fluorene]

2'-deuterio-9,9'-spirobi[fluorene] (PubChem CID 100957959) has the molecular formula C25H16 and a molecular weight of 317.41 g/mol. Its IUPAC name is 2'-deuterio-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2'-deuterio-9,9'-spirobi[fluorene]
PubChem CID100957959
Molecular FormulaC25H16
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC Name2'-deuterio-9,9'-spirobi[fluorene]
SMILES[2H]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H/i5D
InChIKeySNFCXVRWFNAHQX-UICOGKGYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.41
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-(4-deuteriophenyl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;methane
CID 161082547
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
2-deuterio-7-methyl-9,9-diphenylfluorene
CID 59886082
spiro[10H-acridine-9,9'-fluorene]
CID 13293439
1,2-dideuterio-9,9-dimethylfluorene
CID 175772384
CID 174022816
CID 174022816
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785
9,9-dinaphthalen-1-ylfluorene
CID 140680296
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
9,9-diphenylfluorene;methane
CID 145140147

Frequently Asked Questions

What is the IUPAC name of 2'-deuterio-9,9'-spirobi[fluorene]?
The IUPAC name of 2'-deuterio-9,9'-spirobi[fluorene] (CID 100957959) is 2'-deuterio-9,9'-spirobi[fluorene].
What is the SMILES notation for 2'-deuterio-9,9'-spirobi[fluorene]?
The canonical SMILES for 2'-deuterio-9,9'-spirobi[fluorene] is [2H]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 2'-deuterio-9,9'-spirobi[fluorene]?
The InChIKey is SNFCXVRWFNAHQX-UICOGKGYSA-N. The full InChI is InChI=1S/C25H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H/i5D.
What are the key properties of 2'-deuterio-9,9'-spirobi[fluorene]?
2'-deuterio-9,9'-spirobi[fluorene] has a molecular weight of 317.41 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-deuterio-9,9'-spirobi[fluorene] is sourced from PubChem (CID 100957959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).