(4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol

C35H35BrO — CID 101349744

IUPAC(4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1c2ccccc2c(C(O)c2c(C)cc(Br)cc2C)c2ccccc12
InChIInChI=1S/C35H35BrO/c1-20-16-24(35(5,6)7)17-21(2)30(20)32-26-12-8-10-14-28(26)33(29-15-11-9-13-27(29)32)34(37)31-22(3)18-25(36)19-23(31)4/h8-19,34,37H,1-7H3
InChIKeyHCTRVDIUHQAUPB-UHFFFAOYSA-N
MW551.57 g/mol
LogP10.04
Rot. Bonds3

About (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol

(4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol (PubChem CID 101349744) has the molecular formula C35H35BrO and a molecular weight of 551.57 g/mol. Its IUPAC name is (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol.

Molecular Properties

Compound Name(4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol
PubChem CID101349744
Molecular FormulaC35H35BrO
Molecular Weight551.57 g/mol
Exact Mass550.19
IUPAC Name(4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1c2ccccc2c(C(O)c2c(C)cc(Br)cc2C)c2ccccc12
InChIInChI=1S/C35H35BrO/c1-20-16-24(35(5,6)7)17-21(2)30(20)32-26-12-8-10-14-28(26)33(29-15-11-9-13-27(29)32)34(37)31-22(3)18-25(36)19-23(31)4/h8-19,34,37H,1-7H3
InChIKeyHCTRVDIUHQAUPB-UHFFFAOYSA-N
XLogP10.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.57
LogP ≤ 510.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol with MolForge

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Related Compounds

(3-Bromonaphthalen-2-yl)methanol
CID 264948
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
(1R,2R,4aS,8aS)-1-[(E,3R)-5-(10-bromoanthracen-9-yl)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 118735718
7-Bromo-2-naphthalenemethanol
CID 22240133
2-(3-Bicyclo[3.2.2]nonanyl)-1-(6-bromophenanthren-9-yl)ethanol
CID 90669669
[3,5-Bis[(5-bromo-2-fluorophenyl)-hydroxymethyl]-2,4,6-triethylphenyl]-(5-bromo-2-fluorophenyl)methanol
CID 139256776
[17-Bromo-26-(hydroxymethyl)-7-heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1,3(12),4(9),5,7,10,13,15,17,19,21(30),22,24(29),25,27-pentadecaenyl]methanol
CID 134864958
1-(1-Bromo-2-naphthyl)ethanol
CID 67247455
1,1'-Dipyrenyl methyl ether
CID 129851901
1-(1-Bromo-3-fluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 57801992
1-(3-Bromo-1-fluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995687
1-(3-Bromo-6,7-difluoronaphthalen-2-yl)-2-(4-propylcyclohexyl)prop-2-en-1-ol
CID 58995690

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol?
The IUPAC name of (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol (CID 101349744) is (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol.
What is the SMILES notation for (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol?
The canonical SMILES for (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol is Cc1cc(C(C)(C)C)cc(C)c1-c1c2ccccc2c(C(O)c2c(C)cc(Br)cc2C)c2ccccc12.
What is the InChIKey of (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol?
The InChIKey is HCTRVDIUHQAUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35BrO/c1-20-16-24(35(5,6)7)17-21(2)30(20)32-26-12-8-10-14-28(26)33(29-15-11-9-13-27(29)32)34(37)31-22(3)18-25(36)19-23(31)4/h8-19,34,37H,1-7H3.
What are the key properties of (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol?
(4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol has a molecular weight of 551.57 g/mol, XLogP of 10.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethylphenyl)-[10-(4-tert-butyl-2,6-dimethylphenyl)anthracen-9-yl]methanol is sourced from PubChem (CID 101349744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).