2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene

C45H33Br — CID 144990236

IUPAC2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene
SMILESBrc1ccc(C(Cc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C45H33Br/c46-39-27-25-36(26-28-39)42(35-23-21-34(22-24-35)33-12-4-1-5-13-33)30-32-20-29-41-40-18-10-11-19-43(40)45(44(41)31-32,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-29,31,42H,30H2
InChIKeyNHMNMUPUGTYXFB-UHFFFAOYSA-N
MW653.66 g/mol
LogP11.85
Rot. Bonds7

About 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene

2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene (PubChem CID 144990236) has the molecular formula C45H33Br and a molecular weight of 653.66 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene
PubChem CID144990236
Molecular FormulaC45H33Br
Molecular Weight653.66 g/mol
Exact Mass652.18
IUPAC Name2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene
SMILESBrc1ccc(C(Cc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C45H33Br/c46-39-27-25-36(26-28-39)42(35-23-21-34(22-24-35)33-12-4-1-5-13-33)30-32-20-29-41-40-18-10-11-19-43(40)45(44(41)31-32,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-29,31,42H,30H2
InChIKeyNHMNMUPUGTYXFB-UHFFFAOYSA-N
XLogP11.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.66
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
CID 146644661
12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 144990338
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 161198926
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
3-bromo-9,9'-spirobi[fluorene];N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;9,9-diphenyl-2-[4-[(4-phenylphenyl)methyl]phenyl]fluorene
CID 161338390
3,9,9-triphenylfluorene
CID 140844354
1-(4-bromophenyl)-9,9-diphenylfluorene
CID 172845574
N-methyl-9,9-diphenyl-N-[phenyl-(4-phenylphenyl)methyl]fluoren-2-amine
CID 135245500
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
4-(2-bromo-9-phenylfluoren-9-yl)phenol
CID 146438862

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene?
The IUPAC name of 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene (CID 144990236) is 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene?
The canonical SMILES for 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene is Brc1ccc(C(Cc2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene?
The InChIKey is NHMNMUPUGTYXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33Br/c46-39-27-25-36(26-28-39)42(35-23-21-34(22-24-35)33-12-4-1-5-13-33)30-32-20-29-41-40-18-10-11-19-43(40)45(44(41)31-32,37-14-6-2-7-15-37)38-16-8-3-9-17-38/h1-29,31,42H,30H2.
What are the key properties of 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene?
2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene has a molecular weight of 653.66 g/mol, XLogP of 11.85, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene is sourced from PubChem (CID 144990236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).