2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol

C50H35Br3O2 — CID 162186421

IUPAC2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol
SMILESBrc1ccccc1-c1ccccc1.OC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccc(Br)cc21.OC1c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H17BrO.C13H9BrO.C12H9Br/c26-18-14-15-21-20-11-5-7-13-23(20)25(27,24(21)16-18)22-12-6-4-10-19(22)17-8-2-1-3-9-17;14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-16,27H;1-7,13,15H;1-9H
InChIKeyZPSAXNGARDNDLF-UHFFFAOYSA-N
MW907.54 g/mol
LogP14.01
Rot. Bonds3

About 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol

2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol (PubChem CID 162186421) has the molecular formula C50H35Br3O2 and a molecular weight of 907.54 g/mol. Its IUPAC name is 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol.

Molecular Properties

Compound Name2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol
PubChem CID162186421
Molecular FormulaC50H35Br3O2
Molecular Weight907.54 g/mol
Exact Mass904.02
IUPAC Name2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol
SMILESBrc1ccccc1-c1ccccc1.OC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccc(Br)cc21.OC1c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H17BrO.C13H9BrO.C12H9Br/c26-18-14-15-21-20-11-5-7-13-23(20)25(27,24(21)16-18)22-12-6-4-10-19(22)17-8-2-1-3-9-17;14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-16,27H;1-7,13,15H;1-9H
InChIKeyZPSAXNGARDNDLF-UHFFFAOYSA-N
XLogP14.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.54
LogP ≤ 514.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol?
The IUPAC name of 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol (CID 162186421) is 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol.
What is the SMILES notation for 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol?
The canonical SMILES for 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol is Brc1ccccc1-c1ccccc1.OC1(c2ccccc2-c2ccccc2)c2ccccc2-c2ccc(Br)cc21.OC1c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol?
The InChIKey is ZPSAXNGARDNDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrO.C13H9BrO.C12H9Br/c26-18-14-15-21-20-11-5-7-13-23(20)25(27,24(21)16-18)22-12-6-4-10-19(22)17-8-2-1-3-9-17;14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-16,27H;1-7,13,15H;1-9H.
What are the key properties of 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol?
2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol has a molecular weight of 907.54 g/mol, XLogP of 14.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9H-fluoren-9-ol;1-bromo-2-phenylbenzene;2-bromo-9-(2-phenylphenyl)fluoren-9-ol is sourced from PubChem (CID 162186421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).