2-iodo-7,9,9-triphenylfluorene

C31H21I — CID 149383994

IUPAC2-iodo-7,9,9-triphenylfluorene
SMILESIc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C31H21I/c32-26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)31(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyYMFAZDWZLWWBFC-UHFFFAOYSA-N
MW520.41 g/mol
LogP8.32
Rot. Bonds3

About 2-iodo-7,9,9-triphenylfluorene

2-iodo-7,9,9-triphenylfluorene (PubChem CID 149383994) has the molecular formula C31H21I and a molecular weight of 520.41 g/mol. Its IUPAC name is 2-iodo-7,9,9-triphenylfluorene.

Molecular Properties

Compound Name2-iodo-7,9,9-triphenylfluorene
PubChem CID149383994
Molecular FormulaC31H21I
Molecular Weight520.41 g/mol
Exact Mass520.07
IUPAC Name2-iodo-7,9,9-triphenylfluorene
SMILESIc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C31H21I/c32-26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)31(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyYMFAZDWZLWWBFC-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.41
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
2-(3-iodophenyl)-9,9'-spirobi[fluorene]
CID 59668504
3-[9,9-diphenyl-7-(8-phenyl-1,10-phenanthrolin-3-yl)fluoren-2-yl]-8-phenyl-1,10-phenanthroline
CID 121460980
3,9,9-triphenylfluorene
CID 140844354
9,9-dinaphthalen-2-yl-2,7-bis(4-phenylphenyl)fluorene
CID 144772685
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7,9,9-triphenylfluorene?
The IUPAC name of 2-iodo-7,9,9-triphenylfluorene (CID 149383994) is 2-iodo-7,9,9-triphenylfluorene.
What is the SMILES notation for 2-iodo-7,9,9-triphenylfluorene?
The canonical SMILES for 2-iodo-7,9,9-triphenylfluorene is Ic1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 2-iodo-7,9,9-triphenylfluorene?
The InChIKey is YMFAZDWZLWWBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21I/c32-26-17-19-28-27-18-16-23(22-10-4-1-5-11-22)20-29(27)31(30(28)21-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H.
What are the key properties of 2-iodo-7,9,9-triphenylfluorene?
2-iodo-7,9,9-triphenylfluorene has a molecular weight of 520.41 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7,9,9-triphenylfluorene is sourced from PubChem (CID 149383994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).