2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol

C35H27BrO — CID 140906727

IUPAC2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(Br)ccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C35H27BrO/c1-35(2,37)32-22-26(36)18-20-27(32)25-17-19-30-31(21-25)34(24-13-7-4-8-14-24)29-16-10-9-15-28(29)33(30)23-11-5-3-6-12-23/h3-22,37H,1-2H3
InChIKeyLHCOVOSKDNTYJS-UHFFFAOYSA-N
MW543.50 g/mol
LogP9.98
Rot. Bonds4

About 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol

2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol (PubChem CID 140906727) has the molecular formula C35H27BrO and a molecular weight of 543.50 g/mol. Its IUPAC name is 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol
PubChem CID140906727
Molecular FormulaC35H27BrO
Molecular Weight543.50 g/mol
Exact Mass542.12
IUPAC Name2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(Br)ccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C35H27BrO/c1-35(2,37)32-22-26(36)18-20-27(32)25-17-19-30-31(21-25)34(24-13-7-4-8-14-24)29-16-10-9-15-28(29)33(30)23-11-5-3-6-12-23/h3-22,37H,1-2H3
InChIKeyLHCOVOSKDNTYJS-UHFFFAOYSA-N
XLogP9.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.50
LogP ≤ 59.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(9,10-diphenylanthracen-2-yl)-4-(2-hydroxypropan-2-yl)-5-pyren-1-ylphenyl]propan-2-ol
CID 58261371
2-bromo-9,10-diphenylanthracene
CID 22247163
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
CID 158760527
CID 158760527
2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane
CID 142353445
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
3-bromo-9,10-bis(4-tert-butylphenyl)phenanthrene
CID 142739231
[5-bromo-2-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-diphenylmethanol
CID 138723827

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol?
The IUPAC name of 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol (CID 140906727) is 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol is CC(C)(O)c1cc(Br)ccc1-c1ccc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol?
The InChIKey is LHCOVOSKDNTYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27BrO/c1-35(2,37)32-22-26(36)18-20-27(32)25-17-19-30-31(21-25)34(24-13-7-4-8-14-24)29-16-10-9-15-28(29)33(30)23-11-5-3-6-12-23/h3-22,37H,1-2H3.
What are the key properties of 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol?
2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol has a molecular weight of 543.50 g/mol, XLogP of 9.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(9,10-diphenylanthracen-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 140906727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).