2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol

C51H36Br2O2 — CID 177045281

IUPAC2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol
SMILESOc1c(Cc2ccccc2)cc(C2(c3cc(Cc4ccccc4)c(O)c(-c4ccccc4)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1-c1ccccc1
InChIInChI=1S/C51H36Br2O2/c52-41-21-23-43-44-24-22-42(53)32-48(44)51(47(43)31-41,39-27-37(25-33-13-5-1-6-14-33)49(54)45(29-39)35-17-9-3-10-18-35)40-28-38(26-34-15-7-2-8-16-34)50(55)46(30-40)36-19-11-4-12-20-36/h1-24,27-32,54-55H,25-26H2
InChIKeyLUFZQDSVARCSML-UHFFFAOYSA-N
MW840.66 g/mol
LogP13.50
Rot. Bonds8

About 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol

2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol (PubChem CID 177045281) has the molecular formula C51H36Br2O2 and a molecular weight of 840.66 g/mol. Its IUPAC name is 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol.

Molecular Properties

Compound Name2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol
PubChem CID177045281
Molecular FormulaC51H36Br2O2
Molecular Weight840.66 g/mol
Exact Mass838.11
IUPAC Name2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol
SMILESOc1c(Cc2ccccc2)cc(C2(c3cc(Cc4ccccc4)c(O)c(-c4ccccc4)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1-c1ccccc1
InChIInChI=1S/C51H36Br2O2/c52-41-21-23-43-44-24-22-42(53)32-48(44)51(47(43)31-41,39-27-37(25-33-13-5-1-6-14-33)49(54)45(29-39)35-17-9-3-10-18-35)40-28-38(26-34-15-7-2-8-16-34)50(55)46(30-40)36-19-11-4-12-20-36/h1-24,27-32,54-55H,25-26H2
InChIKeyLUFZQDSVARCSML-UHFFFAOYSA-N
XLogP13.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.66
LogP ≤ 513.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol?
The IUPAC name of 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol (CID 177045281) is 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol.
What is the SMILES notation for 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol?
The canonical SMILES for 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol is Oc1c(Cc2ccccc2)cc(C2(c3cc(Cc4ccccc4)c(O)c(-c4ccccc4)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1-c1ccccc1.
What is the InChIKey of 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol?
The InChIKey is LUFZQDSVARCSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36Br2O2/c52-41-21-23-43-44-24-22-42(53)32-48(44)51(47(43)31-41,39-27-37(25-33-13-5-1-6-14-33)49(54)45(29-39)35-17-9-3-10-18-35)40-28-38(26-34-15-7-2-8-16-34)50(55)46(30-40)36-19-11-4-12-20-36/h1-24,27-32,54-55H,25-26H2.
What are the key properties of 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol?
2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol has a molecular weight of 840.66 g/mol, XLogP of 13.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[9-(3-benzyl-4-hydroxy-5-phenylphenyl)-2,7-dibromofluoren-9-yl]-6-phenylphenol is sourced from PubChem (CID 177045281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).