3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol

C28H23BrO — CID 142567776

IUPAC3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
SMILESCC1(C)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C28H23BrO/c1-27(2)23-14-8-9-15-24(23)28(30,25-17-16-20(29)18-26(25)27)22-13-7-6-12-21(22)19-10-4-3-5-11-19/h3-18,30H,1-2H3
InChIKeyZLKOOMXUHUFCQM-UHFFFAOYSA-N
MW455.40 g/mol
LogP7.04
Rot. Bonds2

About 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol

3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol (PubChem CID 142567776) has the molecular formula C28H23BrO and a molecular weight of 455.40 g/mol. Its IUPAC name is 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol.

Molecular Properties

Compound Name3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
PubChem CID142567776
Molecular FormulaC28H23BrO
Molecular Weight455.40 g/mol
Exact Mass454.09
IUPAC Name3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
SMILESCC1(C)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2ccc(Br)cc21
InChIInChI=1S/C28H23BrO/c1-27(2)23-14-8-9-15-24(23)28(30,25-17-16-20(29)18-26(25)27)22-13-7-6-12-21(22)19-10-4-3-5-11-19/h3-18,30H,1-2H3
InChIKeyZLKOOMXUHUFCQM-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

17-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,21-diol
CID 67386572
9-[2-(2-chlorophenyl)phenyl]-10,10-dimethyl-3-phenylanthracen-9-ol
CID 155408909
7-bromo-10,10-dimethyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175381
5,9-dibromo-7-(2-phenylphenyl)benzo[c]fluoren-7-ol
CID 159840837
9,9,10,10-tetramethyl-2,6-bis(2-phenylphenyl)anthracene
CID 59649045
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2-bromo-9-[8-(4-phenylphenyl)naphthalen-1-yl]fluoren-9-ol
CID 164732104
17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol
CID 89216058
9-bromo-7-(8-phenylnaphthalen-1-yl)benzo[a]phenalen-7-ol
CID 176723096
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
7-bromo-14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-14,21-diol
CID 58175542
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
CID 59649029

Frequently Asked Questions

What is the IUPAC name of 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol?
The IUPAC name of 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol (CID 142567776) is 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol.
What is the SMILES notation for 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol?
The canonical SMILES for 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol is CC1(C)c2ccccc2C(O)(c2ccccc2-c2ccccc2)c2ccc(Br)cc21.
What is the InChIKey of 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol?
The InChIKey is ZLKOOMXUHUFCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrO/c1-27(2)23-14-8-9-15-24(23)28(30,25-17-16-20(29)18-26(25)27)22-13-7-6-12-21(22)19-10-4-3-5-11-19/h3-18,30H,1-2H3.
What are the key properties of 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol?
3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol has a molecular weight of 455.40 g/mol, XLogP of 7.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol is sourced from PubChem (CID 142567776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).