(4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol

C42H43BrO — CID 163830489

IUPAC(4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol
SMILESCCCCCCCCC1(C)c2ccccc2-c2ccc(-c3ccccc3C(O)(c3ccc(C)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C42H43BrO/c1-4-5-6-7-8-13-28-41(3)38-16-11-10-15-36(38)37-27-20-31(29-40(37)41)35-14-9-12-17-39(35)42(44,32-21-18-30(2)19-22-32)33-23-25-34(43)26-24-33/h9-12,14-27,29,44H,4-8,13,28H2,1-3H3
InChIKeyODGCRJWAUBFRDD-UHFFFAOYSA-N
MW643.71 g/mol
LogP11.75
Rot. Bonds11

About (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol

(4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol (PubChem CID 163830489) has the molecular formula C42H43BrO and a molecular weight of 643.71 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol
PubChem CID163830489
Molecular FormulaC42H43BrO
Molecular Weight643.71 g/mol
Exact Mass642.25
IUPAC Name(4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol
SMILESCCCCCCCCC1(C)c2ccccc2-c2ccc(-c3ccccc3C(O)(c3ccc(C)cc3)c3ccc(Br)cc3)cc21
InChIInChI=1S/C42H43BrO/c1-4-5-6-7-8-13-28-41(3)38-16-11-10-15-36(38)37-27-20-31(29-40(37)41)35-14-9-12-17-39(35)42(44,32-21-18-30(2)19-22-32)33-23-25-34(43)26-24-33/h9-12,14-27,29,44H,4-8,13,28H2,1-3H3
InChIKeyODGCRJWAUBFRDD-UHFFFAOYSA-N
XLogP11.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.71
LogP ≤ 511.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-9-methyl-9-octylfluorene
CID 134581594
bis(4-bromophenyl)-[2-(9,9-dimethylfluoren-2-yl)phenyl]methanol
CID 129138218
2-bromo-9-hexyl-9-methylfluorene
CID 141395535
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
4-[9-methyl-7-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]-9-octylfluoren-2-yl]-2-(4-methylphenyl)-6-phenylpyrimidine
CID 123990852
4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol
CID 123523124
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
N-(4-bromophenyl)-4-[2-(9,9-dihexylfluoren-2-yl)phenyl]aniline
CID 58202612
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
2,9-dimethyl-9-propylfluorene
CID 58051803
4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
CID 134594820

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol?
The IUPAC name of (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol (CID 163830489) is (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol.
What is the SMILES notation for (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol?
The canonical SMILES for (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol is CCCCCCCCC1(C)c2ccccc2-c2ccc(-c3ccccc3C(O)(c3ccc(C)cc3)c3ccc(Br)cc3)cc21.
What is the InChIKey of (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol?
The InChIKey is ODGCRJWAUBFRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43BrO/c1-4-5-6-7-8-13-28-41(3)38-16-11-10-15-36(38)37-27-20-31(29-40(37)41)35-14-9-12-17-39(35)42(44,32-21-18-30(2)19-22-32)33-23-25-34(43)26-24-33/h9-12,14-27,29,44H,4-8,13,28H2,1-3H3.
What are the key properties of (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol?
(4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol has a molecular weight of 643.71 g/mol, XLogP of 11.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(9-methyl-9-octylfluoren-2-yl)phenyl]-(4-methylphenyl)methanol is sourced from PubChem (CID 163830489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).