4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol

C58H37Br3O2 — CID 158055686

IUPAC4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
SMILESBrc1ccccc1-c1ccccc1.O=C1c2cc3ccccc3cc2-c2c(Br)cccc21.OC1(c2ccccc2-c2ccccc2)c2cc3ccccc3cc2-c2c(Br)cccc21
InChIInChI=1S/C29H19BrO.C17H9BrO.C12H9Br/c30-27-16-8-15-25-28(27)23-17-20-11-4-5-12-21(20)18-26(23)29(25,31)24-14-7-6-13-22(24)19-9-2-1-3-10-19;18-15-7-3-6-12-16(15)13-8-10-4-1-2-5-11(10)9-14(13)17(12)19;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-18,31H;1-9H;1-9H
InChIKeyFKAFNMUDOKWAOU-UHFFFAOYSA-N
MW1005.64 g/mol
LogP16.46
Rot. Bonds3

About 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol

4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol (PubChem CID 158055686) has the molecular formula C58H37Br3O2 and a molecular weight of 1005.64 g/mol. Its IUPAC name is 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol.

Molecular Properties

Compound Name4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
PubChem CID158055686
Molecular FormulaC58H37Br3O2
Molecular Weight1005.64 g/mol
Exact Mass1002.03
IUPAC Name4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
SMILESBrc1ccccc1-c1ccccc1.O=C1c2cc3ccccc3cc2-c2c(Br)cccc21.OC1(c2ccccc2-c2ccccc2)c2cc3ccccc3cc2-c2c(Br)cccc21
InChIInChI=1S/C29H19BrO.C17H9BrO.C12H9Br/c30-27-16-8-15-25-28(27)23-17-20-11-4-5-12-21(20)18-26(23)29(25,31)24-14-7-6-13-22(24)19-9-2-1-3-10-19;18-15-7-3-6-12-16(15)13-8-10-4-1-2-5-11(10)9-14(13)17(12)19;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-18,31H;1-9H;1-9H
InChIKeyFKAFNMUDOKWAOU-UHFFFAOYSA-N
XLogP16.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.64
LogP ≤ 516.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol?
The IUPAC name of 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol (CID 158055686) is 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol.
What is the SMILES notation for 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol?
The canonical SMILES for 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol is Brc1ccccc1-c1ccccc1.O=C1c2cc3ccccc3cc2-c2c(Br)cccc21.OC1(c2ccccc2-c2ccccc2)c2cc3ccccc3cc2-c2c(Br)cccc21.
What is the InChIKey of 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol?
The InChIKey is FKAFNMUDOKWAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrO.C17H9BrO.C12H9Br/c30-27-16-8-15-25-28(27)23-17-20-11-4-5-12-21(20)18-26(23)29(25,31)24-14-7-6-13-22(24)19-9-2-1-3-10-19;18-15-7-3-6-12-16(15)13-8-10-4-1-2-5-11(10)9-14(13)17(12)19;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-18,31H;1-9H;1-9H.
What are the key properties of 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol?
4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol has a molecular weight of 1005.64 g/mol, XLogP of 16.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzo[b]fluoren-11-one;1-bromo-2-phenylbenzene;4-bromo-11-(2-phenylphenyl)benzo[b]fluoren-11-ol is sourced from PubChem (CID 158055686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).