2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid

C80H66BBrO4 — CID 161359304

IUPAC2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccccc4-c4ccccc4)ccc2-3)c(-c2ccccc2)c1.COc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(Br)ccc2-3)c(-c2ccccc2)c1.OB(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C40H32O.C28H23BrO.C12H11BO2/c1-40(2)38-24-29(33-17-11-10-16-32(33)27-12-6-4-7-13-27)18-21-35(38)36-22-19-30(25-39(36)40)34-23-20-31(41-3)26-37(34)28-14-8-5-9-15-28;1-28(2)26-15-19(9-12-23(26)24-13-10-20(29)16-27(24)28)22-14-11-21(30-3)17-25(22)18-7-5-4-6-8-18;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-26H,1-3H3;4-17H,1-3H3;1-9,14-15H
InChIKeyVOYQNMBKRWQHQL-UHFFFAOYSA-N
MW1182.12 g/mol
LogP19.80
Rot. Bonds10

About 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid

2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid (PubChem CID 161359304) has the molecular formula C80H66BBrO4 and a molecular weight of 1182.12 g/mol. Its IUPAC name is 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid.

Molecular Properties

Compound Name2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid
PubChem CID161359304
Molecular FormulaC80H66BBrO4
Molecular Weight1182.12 g/mol
Exact Mass1180.42
IUPAC Name2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccccc4-c4ccccc4)ccc2-3)c(-c2ccccc2)c1.COc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(Br)ccc2-3)c(-c2ccccc2)c1.OB(O)c1ccccc1-c1ccccc1
InChIInChI=1S/C40H32O.C28H23BrO.C12H11BO2/c1-40(2)38-24-29(33-17-11-10-16-32(33)27-12-6-4-7-13-27)18-21-35(38)36-22-19-30(25-39(36)40)34-23-20-31(41-3)26-37(34)28-14-8-5-9-15-28;1-28(2)26-15-19(9-12-23(26)24-13-10-20(29)16-27(24)28)22-14-11-21(30-3)17-25(22)18-7-5-4-6-8-18;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-26H,1-3H3;4-17H,1-3H3;1-9,14-15H
InChIKeyVOYQNMBKRWQHQL-UHFFFAOYSA-N
XLogP19.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001182.12
LogP ≤ 519.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2'-bromo-7'-(4-methoxy-2-phenylphenyl)-9,9'-spirobi[fluorene]
CID 121482268
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
[2-[2-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]boronic acid
CID 142721937
2,7-bis(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;13,27-dimethoxy-20,20-dimethylnonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaene;trichloroiron
CID 157341684
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-(9,9-dimethylfluoren-2-yl)-7-[6-(6-methoxynaphthalen-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 90394242
N,N-bis(4-bromophenyl)-3-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)aniline
CID 153294011
9-[7-(7-methoxy-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(4-phenylphenyl)anthracene
CID 20822210
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid?
The IUPAC name of 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid (CID 161359304) is 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid.
What is the SMILES notation for 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid?
The canonical SMILES for 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid is COc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccccc4-c4ccccc4)ccc2-3)c(-c2ccccc2)c1.COc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(Br)ccc2-3)c(-c2ccccc2)c1.OB(O)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid?
The InChIKey is VOYQNMBKRWQHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32O.C28H23BrO.C12H11BO2/c1-40(2)38-24-29(33-17-11-10-16-32(33)27-12-6-4-7-13-27)18-21-35(38)36-22-19-30(25-39(36)40)34-23-20-31(41-3)26-37(34)28-14-8-5-9-15-28;1-28(2)26-15-19(9-12-23(26)24-13-10-20(29)16-27(24)28)22-14-11-21(30-3)17-25(22)18-7-5-4-6-8-18;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-26H,1-3H3;4-17H,1-3H3;1-9,14-15H.
What are the key properties of 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid?
2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid has a molecular weight of 1182.12 g/mol, XLogP of 19.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(4-methoxy-2-phenylphenyl)-9,9-dimethylfluorene;2-(4-methoxy-2-phenylphenyl)-9,9-dimethyl-7-(2-phenylphenyl)fluorene;(2-phenylphenyl)boronic acid is sourced from PubChem (CID 161359304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).