2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene

C51H52Br2 — CID 155761650

IUPAC2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(Br)cc4)cc3C)ccc2-c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3C)cc21
InChIInChI=1S/C51H52Br2/c1-5-7-9-11-29-51(30-12-10-8-6-2)49-33-41(45-25-17-39(31-35(45)3)37-13-21-43(52)22-14-37)19-27-47(49)48-28-20-42(34-50(48)51)46-26-18-40(32-36(46)4)38-15-23-44(53)24-16-38/h13-28,31-34H,5-12,29-30H2,1-4H3
InChIKeyZWYXKRGQTKYRHJ-UHFFFAOYSA-N
MW824.79 g/mol
LogP16.70
Rot. Bonds14

About 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene

2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene (PubChem CID 155761650) has the molecular formula C51H52Br2 and a molecular weight of 824.79 g/mol. Its IUPAC name is 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene.

Molecular Properties

Compound Name2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene
PubChem CID155761650
Molecular FormulaC51H52Br2
Molecular Weight824.79 g/mol
Exact Mass822.24
IUPAC Name2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(Br)cc4)cc3C)ccc2-c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3C)cc21
InChIInChI=1S/C51H52Br2/c1-5-7-9-11-29-51(30-12-10-8-6-2)49-33-41(45-25-17-39(31-35(45)3)37-13-21-43(52)22-14-37)19-27-47(49)48-28-20-42(34-50(48)51)46-26-18-40(32-36(46)4)38-15-23-44(53)24-16-38/h13-28,31-34H,5-12,29-30H2,1-4H3
InChIKeyZWYXKRGQTKYRHJ-UHFFFAOYSA-N
XLogP16.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.79
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-bis(4-bromo-2-methylphenyl)-9,9-dihexylfluorene
CID 155761603
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
4-(7-bromo-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 169223631
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
2-(4-bromo-3,5-dimethylphenyl)-7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 145436592
2,7-dibromo-9,9-dioctylfluorene;9,9-dioctyl-2,7-diphenylfluorene;(9,9-dioctyl-7-trimethylstannylfluoren-2-yl)-trimethylstannane
CID 158576273
N-(4-bromophenyl)-4-[2-(9,9-dihexylfluoren-2-yl)phenyl]aniline
CID 58202612

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene?
The IUPAC name of 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene (CID 155761650) is 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene.
What is the SMILES notation for 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene?
The canonical SMILES for 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene is CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(Br)cc4)cc3C)ccc2-c2ccc(-c3ccc(-c4ccc(Br)cc4)cc3C)cc21.
What is the InChIKey of 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene?
The InChIKey is ZWYXKRGQTKYRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52Br2/c1-5-7-9-11-29-51(30-12-10-8-6-2)49-33-41(45-25-17-39(31-35(45)3)37-13-21-43(52)22-14-37)19-27-47(49)48-28-20-42(34-50(48)51)46-26-18-40(32-36(46)4)38-15-23-44(53)24-16-38/h13-28,31-34H,5-12,29-30H2,1-4H3.
What are the key properties of 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene?
2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene has a molecular weight of 824.79 g/mol, XLogP of 16.70, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[4-(4-bromophenyl)-2-methylphenyl]-9,9-dihexylfluorene is sourced from PubChem (CID 155761650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).