2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene

C32H28Br2 — CID 122211762

IUPAC2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene
SMILESCc1cc(C)c(-c2c3ccc(Br)cc3c(-c3c(C)cc(C)cc3C)c3cc(Br)ccc23)c(C)c1
InChIInChI=1S/C32H28Br2/c1-17-11-19(3)29(20(4)12-17)31-25-9-7-23(33)15-27(25)32(28-16-24(34)8-10-26(28)31)30-21(5)13-18(2)14-22(30)6/h7-16H,1-6H3
InChIKeyGMPUUEQGEAUCJP-UHFFFAOYSA-N
MW572.38 g/mol
LogP10.70
Rot. Bonds2

About 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene

2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene (PubChem CID 122211762) has the molecular formula C32H28Br2 and a molecular weight of 572.38 g/mol. Its IUPAC name is 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene.

Molecular Properties

Compound Name2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene
PubChem CID122211762
Molecular FormulaC32H28Br2
Molecular Weight572.38 g/mol
Exact Mass570.06
IUPAC Name2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene
SMILESCc1cc(C)c(-c2c3ccc(Br)cc3c(-c3c(C)cc(C)cc3C)c3cc(Br)ccc23)c(C)c1
InChIInChI=1S/C32H28Br2/c1-17-11-19(3)29(20(4)12-17)31-25-9-7-23(33)15-27(25)32(28-16-24(34)8-10-26(28)31)30-21(5)13-18(2)14-22(30)6/h7-16H,1-6H3
InChIKeyGMPUUEQGEAUCJP-UHFFFAOYSA-N
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.38
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium
CID 146013141
7,18,29,40,51,62,68,71,74,77,80,83-dodecakis(2,4,6-trimethylphenyl)nonadecacyclo[61.3.1.12,6.15,9.18,12.113,17.116,20.119,23.124,28.127,31.130,34.135,39.138,42.141,45.146,50.149,53.152,56.157,61.160,64]tetraoctaconta-1(67),2(84),3,5,7,9(83),10,12(82),13(81),14,16,18,20(80),21,23(79),24(78),25,27,29,31(77),32,34(76),35(75),36,38(74),39,41,43,45(73),46(72),47,49(71),50,52,54,56(70),57(69),58,60(68),61,63,65-dotetracontaene
CID 122211763
2,8-dibromo-5,6-bis(4-bromo-3,5-dimethylphenyl)-11,12-bis(3,5-dimethylphenyl)tetracene
CID 10123974
5,15,20,30-tetrakis(2,4,6-trimethylphenyl)octacyclo[14.14.0.02,14.04,12.06,11.017,29.019,27.021,26]triaconta-1(16),2,4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
CID 132969807
2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene
CID 162426469
18,19-dibromo-11,26-bis(2,4,6-trimethylphenyl)decacyclo[20.12.0.02,15.03,12.04,33.05,10.06,31.016,21.025,34.027,32]tetratriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,23,25,27,29,31,33-heptadecaene
CID 71816693
56,65,69,73,77,84-hexakis(2,4,6-trimethylphenyl)nonadecacyclo[48.4.4.45,10.414,19.423,28.432,37.241,44.246,49.14,55.053,57.113,76.122,72.131,68.140,64.161,62.08,78.017,74.026,70.035,66]tetraoctaconta-1(54),2,4(59),5(79),6,8,10(76),11,13(80),14(75),15,17,19(72),20,22(81),23(71),24,26,28(68),29,31(82),32(67),33,35(66),36,38,40(83),41(63),42,44(62),45,47,49(60),50(58),51,53(57),55,61(84),64,69,73,77-dotetracontaene
CID 177452614
5,18-bis(2,4,6-trimethylphenyl)tetradecacyclo[23.15.1.14,36.06,35.09,34.012,33.014,31.017,30.019,28.022,27.026,39.029,38.032,37.040,42]dotetraconta-1(40),2,4,6(35),7,9(34),10,12,14(31),15,17,19(28),20,22(27),23,25(41),26(39),29,32,36(42),37-henicosaene
CID 162496778
2-bromo-9,10-diphenylanthracene
CID 22247163
9,20-bis(2,4,6-trimethylphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 71816692
11-bromo-7-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154611098
7-bromo-4-methyl-1,2-diphenylnaphthalene
CID 166066890

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene?
The IUPAC name of 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene (CID 122211762) is 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene.
What is the SMILES notation for 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene?
The canonical SMILES for 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene is Cc1cc(C)c(-c2c3ccc(Br)cc3c(-c3c(C)cc(C)cc3C)c3cc(Br)ccc23)c(C)c1.
What is the InChIKey of 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene?
The InChIKey is GMPUUEQGEAUCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Br2/c1-17-11-19(3)29(20(4)12-17)31-25-9-7-23(33)15-27(25)32(28-16-24(34)8-10-26(28)31)30-21(5)13-18(2)14-22(30)6/h7-16H,1-6H3.
What are the key properties of 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene?
2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene has a molecular weight of 572.38 g/mol, XLogP of 10.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,10-bis(2,4,6-trimethylphenyl)anthracene is sourced from PubChem (CID 122211762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).